N-[5-[2-(didecylamino)ethylimino]-2,2-dimethylhexan-3-ylidene]hydroxylamine

C30H61N3O — CID 152511166

IUPACN-[5-[2-(didecylamino)ethylimino]-2,2-dimethylhexan-3-ylidene]hydroxylamine
SMILESCCCCCCCCCCN(CCCCCCCCCC)CC/N=C(\C)CC(=NO)C(C)(C)C
InChIInChI=1S/C30H61N3O/c1-7-9-11-13-15-17-19-21-24-33(25-22-20-18-16-14-12-10-8-2)26-23-31-28(3)27-29(32-34)30(4,5)6/h34H,7-27H2,1-6H3/b31-28+,32-29?
InChIKeyYFNLARAUGFDGAW-LUJIPLRMSA-N
MW479.84 g/mol
LogP9.30
Rot. Bonds23

About N-[5-[2-(didecylamino)ethylimino]-2,2-dimethylhexan-3-ylidene]hydroxylamine

N-[5-[2-(didecylamino)ethylimino]-2,2-dimethylhexan-3-ylidene]hydroxylamine (PubChem CID 152511166) has the molecular formula C30H61N3O and a molecular weight of 479.84 g/mol. Its IUPAC name is N-[5-[2-(didecylamino)ethylimino]-2,2-dimethylhexan-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-[2-(didecylamino)ethylimino]-2,2-dimethylhexan-3-ylidene]hydroxylamine
PubChem CID152511166
Molecular FormulaC30H61N3O
Molecular Weight479.84 g/mol
Exact Mass479.48
IUPAC NameN-[5-[2-(didecylamino)ethylimino]-2,2-dimethylhexan-3-ylidene]hydroxylamine
SMILESCCCCCCCCCCN(CCCCCCCCCC)CC/N=C(\C)CC(=NO)C(C)(C)C
InChIInChI=1S/C30H61N3O/c1-7-9-11-13-15-17-19-21-24-33(25-22-20-18-16-14-12-10-8-2)26-23-31-28(3)27-29(32-34)30(4,5)6/h34H,7-27H2,1-6H3/b31-28+,32-29?
InChIKeyYFNLARAUGFDGAW-LUJIPLRMSA-N
XLogP9.30
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.84
LogP ≤ 59.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

chloromethane;N,N-dioctyloctan-1-amine
CID 87084732
N,N-dipentyltridecan-1-amine
CID 139723521
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentylhexadecan-1-amine
CID 139723811
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N,N-didecyltridecan-1-amine
CID 139723202

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(didecylamino)ethylimino]-2,2-dimethylhexan-3-ylidene]hydroxylamine?
The IUPAC name of N-[5-[2-(didecylamino)ethylimino]-2,2-dimethylhexan-3-ylidene]hydroxylamine (CID 152511166) is N-[5-[2-(didecylamino)ethylimino]-2,2-dimethylhexan-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-[2-(didecylamino)ethylimino]-2,2-dimethylhexan-3-ylidene]hydroxylamine?
The canonical SMILES for N-[5-[2-(didecylamino)ethylimino]-2,2-dimethylhexan-3-ylidene]hydroxylamine is CCCCCCCCCCN(CCCCCCCCCC)CC/N=C(\C)CC(=NO)C(C)(C)C.
What is the InChIKey of N-[5-[2-(didecylamino)ethylimino]-2,2-dimethylhexan-3-ylidene]hydroxylamine?
The InChIKey is YFNLARAUGFDGAW-LUJIPLRMSA-N. The full InChI is InChI=1S/C30H61N3O/c1-7-9-11-13-15-17-19-21-24-33(25-22-20-18-16-14-12-10-8-2)26-23-31-28(3)27-29(32-34)30(4,5)6/h34H,7-27H2,1-6H3/b31-28+,32-29?.
What are the key properties of N-[5-[2-(didecylamino)ethylimino]-2,2-dimethylhexan-3-ylidene]hydroxylamine?
N-[5-[2-(didecylamino)ethylimino]-2,2-dimethylhexan-3-ylidene]hydroxylamine has a molecular weight of 479.84 g/mol, XLogP of 9.30, 23 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(didecylamino)ethylimino]-2,2-dimethylhexan-3-ylidene]hydroxylamine is sourced from PubChem (CID 152511166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).