N-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine

C8H18N2O — CID 74050975

IUPACN-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine
SMILESCCCNC(C)(C)C(C)=NO
InChIInChI=1S/C8H18N2O/c1-5-6-9-8(3,4)7(2)10-11/h9,11H,5-6H2,1-4H3
InChIKeyAEMUGSHCHJVDFQ-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.61
Rot. Bonds4

About N-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine

N-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine (PubChem CID 74050975) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine
PubChem CID74050975
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine
SMILESCCCNC(C)(C)C(C)=NO
InChIInChI=1S/C8H18N2O/c1-5-6-9-8(3,4)7(2)10-11/h9,11H,5-6H2,1-4H3
InChIKeyAEMUGSHCHJVDFQ-UHFFFAOYSA-N
XLogP1.61
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride
CID 163408611
N'-[2-[bis[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethyl]-N-propylbutanediamide
CID 59107940
N-[3-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine
CID 159545234
(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
(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
1-N,1-N'-dipropyl-1-silylethane-1,1-diamine
CID 174202627
2-hydroxy-2-(propylamino)propanal
CID 173197010
N-[2-(decylamino)-2-methylpropylidene]hydroxylamine
CID 74895396
2-cyclopentyl-2-(propylamino)propan-1-ol
CID 64758093
3-methyl-3-(propylamino)butanoic acid
CID 65235823

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine?
The IUPAC name of N-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine (CID 74050975) is N-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine is CCCNC(C)(C)C(C)=NO.
What is the InChIKey of N-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine?
The InChIKey is AEMUGSHCHJVDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5-6-9-8(3,4)7(2)10-11/h9,11H,5-6H2,1-4H3.
What are the key properties of N-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine?
N-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine has a molecular weight of 158.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 74050975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).