3-nonan-2-yl-7-propan-2-yldiazepan-3-amine

C17H37N3 — CID 134220025

IUPAC3-nonan-2-yl-7-propan-2-yldiazepan-3-amine
SMILESCCCCCCCC(C)C1(N)CCCC(C(C)C)NN1
InChIInChI=1S/C17H37N3/c1-5-6-7-8-9-11-15(4)17(18)13-10-12-16(14(2)3)19-20-17/h14-16,19-20H,5-13,18H2,1-4H3
InChIKeyAYAPHECPSPROIF-UHFFFAOYSA-N
MW283.50 g/mol
LogP3.94
Rot. Bonds8

About 3-nonan-2-yl-7-propan-2-yldiazepan-3-amine

3-nonan-2-yl-7-propan-2-yldiazepan-3-amine (PubChem CID 134220025) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 3-nonan-2-yl-7-propan-2-yldiazepan-3-amine.

Molecular Properties

Compound Name3-nonan-2-yl-7-propan-2-yldiazepan-3-amine
PubChem CID134220025
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name3-nonan-2-yl-7-propan-2-yldiazepan-3-amine
SMILESCCCCCCCC(C)C1(N)CCCC(C(C)C)NN1
InChIInChI=1S/C17H37N3/c1-5-6-7-8-9-11-15(4)17(18)13-10-12-16(14(2)3)19-20-17/h14-16,19-20H,5-13,18H2,1-4H3
InChIKeyAYAPHECPSPROIF-UHFFFAOYSA-N
XLogP3.94
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-octan-2-yl-7-propan-2-yldiazepan-4-amine
CID 134220095
1-butyl-2-methyl-1-octan-2-ylcyclohexane
CID 163529838
2-cyclopropyltridecan-3-amine
CID 115845964
2-cyclopropyldecan-3-amine
CID 115832316
2-cyclopropylundecan-3-amine
CID 115835648
1-cyclopropyloctylcyclopropane
CID 141276542
1-cyclohexylheptylcyclohexane
CID 16404
1-cycloheptyldecylcycloheptane
CID 20559033
1-amino-3-octan-2-yloxycyclohexane-1-carboxamide
CID 79637541
1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine
CID 155392460
1-piperidin-2-ylhexadecan-1-ol
CID 23497732
octan-2-ylcyclopropane
CID 18968125

Frequently Asked Questions

What is the IUPAC name of 3-nonan-2-yl-7-propan-2-yldiazepan-3-amine?
The IUPAC name of 3-nonan-2-yl-7-propan-2-yldiazepan-3-amine (CID 134220025) is 3-nonan-2-yl-7-propan-2-yldiazepan-3-amine.
What is the SMILES notation for 3-nonan-2-yl-7-propan-2-yldiazepan-3-amine?
The canonical SMILES for 3-nonan-2-yl-7-propan-2-yldiazepan-3-amine is CCCCCCCC(C)C1(N)CCCC(C(C)C)NN1.
What is the InChIKey of 3-nonan-2-yl-7-propan-2-yldiazepan-3-amine?
The InChIKey is AYAPHECPSPROIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-5-6-7-8-9-11-15(4)17(18)13-10-12-16(14(2)3)19-20-17/h14-16,19-20H,5-13,18H2,1-4H3.
What are the key properties of 3-nonan-2-yl-7-propan-2-yldiazepan-3-amine?
3-nonan-2-yl-7-propan-2-yldiazepan-3-amine has a molecular weight of 283.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonan-2-yl-7-propan-2-yldiazepan-3-amine is sourced from PubChem (CID 134220025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).