7-methyl-N-(2-methylpropyl)-N-(propyldiazenyl)octan-1-amine

C16H35N3 — CID 131991421

IUPAC7-methyl-N-(2-methylpropyl)-N-(propyldiazenyl)octan-1-amine
SMILESCCC/N=N/N(CCCCCCC(C)C)CC(C)C
InChIInChI=1S/C16H35N3/c1-6-12-17-18-19(14-16(4)5)13-10-8-7-9-11-15(2)3/h15-16H,6-14H2,1-5H3/b18-17+
InChIKeyLILBLEYNOOZUOA-ISLYRVAYSA-N
MW269.48 g/mol
LogP5.33
Rot. Bonds12

About 7-methyl-N-(2-methylpropyl)-N-(propyldiazenyl)octan-1-amine

7-methyl-N-(2-methylpropyl)-N-(propyldiazenyl)octan-1-amine (PubChem CID 131991421) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 7-methyl-N-(2-methylpropyl)-N-(propyldiazenyl)octan-1-amine.

Molecular Properties

Compound Name7-methyl-N-(2-methylpropyl)-N-(propyldiazenyl)octan-1-amine
PubChem CID131991421
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name7-methyl-N-(2-methylpropyl)-N-(propyldiazenyl)octan-1-amine
SMILESCCC/N=N/N(CCCCCCC(C)C)CC(C)C
InChIInChI=1S/C16H35N3/c1-6-12-17-18-19(14-16(4)5)13-10-8-7-9-11-15(2)3/h15-16H,6-14H2,1-5H3/b18-17+
InChIKeyLILBLEYNOOZUOA-ISLYRVAYSA-N
XLogP5.33
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.48
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(10-methylundecyl)hexadecan-1-amine
CID 139723319
N,N-dihexyl-12-methyltridecan-1-amine
CID 139723652
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
N-(12-methyltridecyl)-N-octadecyloctadecan-1-amine
CID 139723792
N,N-dibutyl-12-methyltridecan-1-amine
CID 139723221
N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine
CID 139723116
13-methyl-N-(13-methyltetradecyl)-N-octyltetradecan-1-amine
CID 139723246

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-methylpropyl)-N-(propyldiazenyl)octan-1-amine?
The IUPAC name of 7-methyl-N-(2-methylpropyl)-N-(propyldiazenyl)octan-1-amine (CID 131991421) is 7-methyl-N-(2-methylpropyl)-N-(propyldiazenyl)octan-1-amine.
What is the SMILES notation for 7-methyl-N-(2-methylpropyl)-N-(propyldiazenyl)octan-1-amine?
The canonical SMILES for 7-methyl-N-(2-methylpropyl)-N-(propyldiazenyl)octan-1-amine is CCC/N=N/N(CCCCCCC(C)C)CC(C)C.
What is the InChIKey of 7-methyl-N-(2-methylpropyl)-N-(propyldiazenyl)octan-1-amine?
The InChIKey is LILBLEYNOOZUOA-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H35N3/c1-6-12-17-18-19(14-16(4)5)13-10-8-7-9-11-15(2)3/h15-16H,6-14H2,1-5H3/b18-17+.
What are the key properties of 7-methyl-N-(2-methylpropyl)-N-(propyldiazenyl)octan-1-amine?
7-methyl-N-(2-methylpropyl)-N-(propyldiazenyl)octan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 5.33, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methylpropyl)-N-(propyldiazenyl)octan-1-amine is sourced from PubChem (CID 131991421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).