N-[3-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride

C14H31ClN4O2 — CID 163408611

IUPACN-[3-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride
SMILESCC(=NO)C(C)(C)NCCCCNC(C)(C)C(C)=NO.Cl
InChIInChI=1S/C14H30N4O2.ClH/c1-11(17-19)13(3,4)15-9-7-8-10-16-14(5,6)12(2)18-20;/h15-16,19-20H,7-10H2,1-6H3;1H
InChIKeyYUGWLDHLYAPTKC-UHFFFAOYSA-N
MW322.88 g/mol
LogP2.62
Rot. Bonds9

About N-[3-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride

N-[3-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride (PubChem CID 163408611) has the molecular formula C14H31ClN4O2 and a molecular weight of 322.88 g/mol. Its IUPAC name is N-[3-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[3-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride
PubChem CID163408611
Molecular FormulaC14H31ClN4O2
Molecular Weight322.88 g/mol
Exact Mass322.21
IUPAC NameN-[3-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride
SMILESCC(=NO)C(C)(C)NCCCCNC(C)(C)C(C)=NO.Cl
InChIInChI=1S/C14H30N4O2.ClH/c1-11(17-19)13(3,4)15-9-7-8-10-16-14(5,6)12(2)18-20;/h15-16,19-20H,7-10H2,1-6H3;1H
InChIKeyYUGWLDHLYAPTKC-UHFFFAOYSA-N
XLogP2.62
TPSA89.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal
CID 143527571
(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide
CID 143048226
(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-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine
CID 159545234
(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
N'-[2-[bis[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethyl]-N-propylbutanediamide
CID 59107940
2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine
CID 91298685
N-[2-(decylamino)-2-methylpropylidene]hydroxylamine
CID 74895396
4-formyl-N,N-bis[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]benzenesulfonamide
CID 73334893
2-methyl-2-(nonylamino)propanoic acid
CID 65263943

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride?
The IUPAC name of N-[3-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride (CID 163408611) is N-[3-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[3-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride?
The canonical SMILES for N-[3-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride is CC(=NO)C(C)(C)NCCCCNC(C)(C)C(C)=NO.Cl.
What is the InChIKey of N-[3-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride?
The InChIKey is YUGWLDHLYAPTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2.ClH/c1-11(17-19)13(3,4)15-9-7-8-10-16-14(5,6)12(2)18-20;/h15-16,19-20H,7-10H2,1-6H3;1H.
What are the key properties of N-[3-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride?
N-[3-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 2.62, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 163408611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).