(NZ)-N-[3-[2-[2-aminoethyl-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethylamino]-3-methylbutan-2-ylidene]hydroxylamine

C16H36N6O2 — CID 59692224

IUPAC(NZ)-N-[3-[2-[2-aminoethyl-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethylamino]-3-methylbutan-2-ylidene]hydroxylamine
SMILESC/C(=N/O)C(C)(C)NCCN(CCN)CCNC(C)(C)/C(C)=N\O
InChIInChI=1S/C16H36N6O2/c1-13(20-23)15(3,4)18-8-11-22(10-7-17)12-9-19-16(5,6)14(2)21-24/h18-19,23-24H,7-12,17H2,1-6H3/b20-13-,21-14-
InChIKeyZIQCFMQDHHFGHJ-NMGXZBPKSA-N
MW344.50 g/mol
LogP0.68
Rot. Bonds12

About (NZ)-N-[3-[2-[2-aminoethyl-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethylamino]-3-methylbutan-2-ylidene]hydroxylamine

(NZ)-N-[3-[2-[2-aminoethyl-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethylamino]-3-methylbutan-2-ylidene]hydroxylamine (PubChem CID 59692224) has the molecular formula C16H36N6O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (NZ)-N-[3-[2-[2-aminoethyl-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethylamino]-3-methylbutan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[3-[2-[2-aminoethyl-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethylamino]-3-methylbutan-2-ylidene]hydroxylamine
PubChem CID59692224
Molecular FormulaC16H36N6O2
Molecular Weight344.50 g/mol
Exact Mass344.29
IUPAC Name(NZ)-N-[3-[2-[2-aminoethyl-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethylamino]-3-methylbutan-2-ylidene]hydroxylamine
SMILESC/C(=N/O)C(C)(C)NCCN(CCN)CCNC(C)(C)/C(C)=N\O
InChIInChI=1S/C16H36N6O2/c1-13(20-23)15(3,4)18-8-11-22(10-7-17)12-9-19-16(5,6)14(2)21-24/h18-19,23-24H,7-12,17H2,1-6H3/b20-13-,21-14-
InChIKeyZIQCFMQDHHFGHJ-NMGXZBPKSA-N
XLogP0.68
TPSA118.50 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 50.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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'}

Analyze (NZ)-N-[3-[2-[2-aminoethyl-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethylamino]-3-methylbutan-2-ylidene]hydroxylamine with MolForge

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Related Compounds

N'-[2-[bis[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethyl]-N-propylbutanediamide
CID 59107940
N'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine
CID 164940273
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
(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide
CID 143048226
N'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane
CID 161159792
N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine
CID 163255552
(NE)-N-[3-[[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-2-(methylamino)propyl]amino]-3-methylbutan-2-ylidene]hydroxylamine
CID 88571969
(NE)-N-[3-methyl-3-(methylamino)butan-2-ylidene]hydroxylamine
CID 6989523
(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal
CID 143527571
N-[3-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine
CID 159545234
2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol;ethane
CID 143379141

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[3-[2-[2-aminoethyl-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethylamino]-3-methylbutan-2-ylidene]hydroxylamine?
The IUPAC name of (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) is (NZ)-N-[3-[2-[2-aminoethyl-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethylamino]-3-methylbutan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[3-[2-[2-aminoethyl-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethylamino]-3-methylbutan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[3-[2-[2-aminoethyl-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethylamino]-3-methylbutan-2-ylidene]hydroxylamine is C/C(=N/O)C(C)(C)NCCN(CCN)CCNC(C)(C)/C(C)=N\O.
What is the InChIKey of (NZ)-N-[3-[2-[2-aminoethyl-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethylamino]-3-methylbutan-2-ylidene]hydroxylamine?
The InChIKey is ZIQCFMQDHHFGHJ-NMGXZBPKSA-N. The full InChI is InChI=1S/C16H36N6O2/c1-13(20-23)15(3,4)18-8-11-22(10-7-17)12-9-19-16(5,6)14(2)21-24/h18-19,23-24H,7-12,17H2,1-6H3/b20-13-,21-14-.
What are the key properties of (NZ)-N-[3-[2-[2-aminoethyl-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethylamino]-3-methylbutan-2-ylidene]hydroxylamine?
(NZ)-N-[3-[2-[2-aminoethyl-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethylamino]-3-methylbutan-2-ylidene]hydroxylamine has a molecular weight of 344.50 g/mol, XLogP of 0.68, 12 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-[2-[2-aminoethyl-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethylamino]-3-methylbutan-2-ylidene]hydroxylamine is sourced from PubChem (CID 59692224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).