2-N'-oxido-2-N'-tetradecylbutane-2,2-diamine

C18H39N2O- — CID 122423538

IUPAC2-N'-oxido-2-N'-tetradecylbutane-2,2-diamine
SMILESCCCCCCCCCCCCCCN([O-])C(C)(N)CC
InChIInChI=1S/C18H39N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20(21)18(3,19)5-2/h4-17,19H2,1-3H3/q-1
InChIKeyUHJFDPNAKTYKIE-UHFFFAOYSA-N
MW299.52 g/mol
LogP5.57
Rot. Bonds15

About 2-N'-oxido-2-N'-tetradecylbutane-2,2-diamine

2-N'-oxido-2-N'-tetradecylbutane-2,2-diamine (PubChem CID 122423538) has the molecular formula C18H39N2O- and a molecular weight of 299.52 g/mol. Its IUPAC name is 2-N'-oxido-2-N'-tetradecylbutane-2,2-diamine.

Molecular Properties

Compound Name2-N'-oxido-2-N'-tetradecylbutane-2,2-diamine
PubChem CID122423538
Molecular FormulaC18H39N2O-
Molecular Weight299.52 g/mol
Exact Mass299.31
IUPAC Name2-N'-oxido-2-N'-tetradecylbutane-2,2-diamine
SMILESCCCCCCCCCCCCCCN([O-])C(C)(N)CC
InChIInChI=1S/C18H39N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20(21)18(3,19)5-2/h4-17,19H2,1-3H3/q-1
InChIKeyUHJFDPNAKTYKIE-UHFFFAOYSA-N
XLogP5.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.52
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethylbutane-2,3-diamine;hexane
CID 88683031
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N,N-ditert-butylhexadecan-1-amine
CID 138920579
N-oxido-N-propyloctan-1-amine
CID 140996116
N-methyl-N-(2-methylbutan-2-yl)hexan-1-amine
CID 167034677
2-amino-N,N-dihexyl-2-methylpropanamide
CID 61265821
chloromethane;N,N-dioctyloctan-1-amine
CID 87084732
11,13-didecyl-13-methyltricosan-11-amine
CID 150877960
N-tert-butyl-N-hexadecylhexadecan-1-amine;hydrochloride
CID 173228720
3-methyloctadecan-3-amine
CID 54058172
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870

Frequently Asked Questions

What is the IUPAC name of 2-N'-oxido-2-N'-tetradecylbutane-2,2-diamine?
The IUPAC name of 2-N'-oxido-2-N'-tetradecylbutane-2,2-diamine (CID 122423538) is 2-N'-oxido-2-N'-tetradecylbutane-2,2-diamine.
What is the SMILES notation for 2-N'-oxido-2-N'-tetradecylbutane-2,2-diamine?
The canonical SMILES for 2-N'-oxido-2-N'-tetradecylbutane-2,2-diamine is CCCCCCCCCCCCCCN([O-])C(C)(N)CC.
What is the InChIKey of 2-N'-oxido-2-N'-tetradecylbutane-2,2-diamine?
The InChIKey is UHJFDPNAKTYKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20(21)18(3,19)5-2/h4-17,19H2,1-3H3/q-1.
What are the key properties of 2-N'-oxido-2-N'-tetradecylbutane-2,2-diamine?
2-N'-oxido-2-N'-tetradecylbutane-2,2-diamine has a molecular weight of 299.52 g/mol, XLogP of 5.57, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-oxido-2-N'-tetradecylbutane-2,2-diamine is sourced from PubChem (CID 122423538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).