(NE)-N-[3-[[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-2-(methylamino)propyl]amino]-3-methylbutan-2-ylidene]hydroxylamine

C14H31N5O2 — CID 88571969

IUPAC(NE)-N-[3-[[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-2-(methylamino)propyl]amino]-3-methylbutan-2-ylidene]hydroxylamine
SMILESCNC(CNC(C)(C)/C(C)=N/O)CNC(C)(C)/C(C)=N/O
InChIInChI=1S/C14H31N5O2/c1-10(18-20)13(3,4)16-8-12(15-7)9-17-14(5,6)11(2)19-21/h12,15-17,20-21H,8-9H2,1-7H3/b18-10+,19-11+
InChIKeyOZFRADGHJJSSLH-XOBNHNQQSA-N
MW301.44 g/mol
LogP1.01
Rot. Bonds9

About (NE)-N-[3-[[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-2-(methylamino)propyl]amino]-3-methylbutan-2-ylidene]hydroxylamine

(NE)-N-[3-[[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-2-(methylamino)propyl]amino]-3-methylbutan-2-ylidene]hydroxylamine (PubChem CID 88571969) has the molecular formula C14H31N5O2 and a molecular weight of 301.44 g/mol. Its IUPAC name is (NE)-N-[3-[[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-2-(methylamino)propyl]amino]-3-methylbutan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-[[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-2-(methylamino)propyl]amino]-3-methylbutan-2-ylidene]hydroxylamine
PubChem CID88571969
Molecular FormulaC14H31N5O2
Molecular Weight301.44 g/mol
Exact Mass301.25
IUPAC Name(NE)-N-[3-[[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-2-(methylamino)propyl]amino]-3-methylbutan-2-ylidene]hydroxylamine
SMILESCNC(CNC(C)(C)/C(C)=N/O)CNC(C)(C)/C(C)=N/O
InChIInChI=1S/C14H31N5O2/c1-10(18-20)13(3,4)16-8-12(15-7)9-17-14(5,6)11(2)19-21/h12,15-17,20-21H,8-9H2,1-7H3/b18-10+,19-11+
InChIKeyOZFRADGHJJSSLH-XOBNHNQQSA-N
XLogP1.01
TPSA101.27 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine
CID 74050975
N-[3-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride
CID 163408611
(NE)-N-[3-methyl-3-(methylamino)butan-2-ylidene]hydroxylamine
CID 6989523
2-[2-(methylamino)butylamino]propan-2-ol
CID 87480587
(NZ)-N-[3-[2-[2-aminoethyl-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethylamino]-3-methylbutan-2-ylidene]hydroxylamine
CID 59692224
N-[3-[[2-[[(3-hydroxyimino-2-methylbutan-2-yl)amino]methyl]-4-(2-nitroimidazol-1-yl)butyl]amino]-3-methylbutan-2-ylidene]hydroxylamine
CID 85115533
(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide
CID 143048226
(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal
CID 143527571
3,3-dimethyl-1-(methylamino)butan-2-ol
CID 15635078
N'-[2-[bis[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethyl]-N-propylbutanediamide
CID 59107940
N'-[1,3-bis[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propan-2-yl]-N-[1-(butylamino)-6-[[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]pentanediamide;propanamide;prop-2-ene-1,2-diamine
CID 142816892
N-[(5S)-6-amino-5-methyl-6-oxohexyl]-2-[4-[[5-[2-[2-[2-[2-[2-[2-[[(5S)-6-amino-5-methyl-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxopentanoyl]amino]butyl]-N'-[1,3-bis[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propan-2-yl]-4-oxooctanediamide
CID 58518948

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3-[[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-2-(methylamino)propyl]amino]-3-methylbutan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-[[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-2-(methylamino)propyl]amino]-3-methylbutan-2-ylidene]hydroxylamine (CID 88571969) is (NE)-N-[3-[[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-2-(methylamino)propyl]amino]-3-methylbutan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-[[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-2-(methylamino)propyl]amino]-3-methylbutan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-[[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-2-(methylamino)propyl]amino]-3-methylbutan-2-ylidene]hydroxylamine is CNC(CNC(C)(C)/C(C)=N/O)CNC(C)(C)/C(C)=N/O.
What is the InChIKey of (NE)-N-[3-[[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-2-(methylamino)propyl]amino]-3-methylbutan-2-ylidene]hydroxylamine?
The InChIKey is OZFRADGHJJSSLH-XOBNHNQQSA-N. The full InChI is InChI=1S/C14H31N5O2/c1-10(18-20)13(3,4)16-8-12(15-7)9-17-14(5,6)11(2)19-21/h12,15-17,20-21H,8-9H2,1-7H3/b18-10+,19-11+.
What are the key properties of (NE)-N-[3-[[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-2-(methylamino)propyl]amino]-3-methylbutan-2-ylidene]hydroxylamine?
(NE)-N-[3-[[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-2-(methylamino)propyl]amino]-3-methylbutan-2-ylidene]hydroxylamine has a molecular weight of 301.44 g/mol, XLogP of 1.01, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-[[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-2-(methylamino)propyl]amino]-3-methylbutan-2-ylidene]hydroxylamine is sourced from PubChem (CID 88571969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).