4-octan-2-yl-7-propan-2-yldiazepan-4-amine

C16H35N3 — CID 134220095

IUPAC4-octan-2-yl-7-propan-2-yldiazepan-4-amine
SMILESCCCCCCC(C)C1(N)CCC(C(C)C)NNC1
InChIInChI=1S/C16H35N3/c1-5-6-7-8-9-14(4)16(17)11-10-15(13(2)3)19-18-12-16/h13-15,18-19H,5-12,17H2,1-4H3
InChIKeyQIFKWVUAMHBMMU-UHFFFAOYSA-N
MW269.48 g/mol
LogP3.20
Rot. Bonds7

About 4-octan-2-yl-7-propan-2-yldiazepan-4-amine

4-octan-2-yl-7-propan-2-yldiazepan-4-amine (PubChem CID 134220095) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 4-octan-2-yl-7-propan-2-yldiazepan-4-amine.

Molecular Properties

Compound Name4-octan-2-yl-7-propan-2-yldiazepan-4-amine
PubChem CID134220095
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name4-octan-2-yl-7-propan-2-yldiazepan-4-amine
SMILESCCCCCCC(C)C1(N)CCC(C(C)C)NNC1
InChIInChI=1S/C16H35N3/c1-5-6-7-8-9-14(4)16(17)11-10-15(13(2)3)19-18-12-16/h13-15,18-19H,5-12,17H2,1-4H3
InChIKeyQIFKWVUAMHBMMU-UHFFFAOYSA-N
XLogP3.20
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 53.20
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

3-nonan-2-yl-7-propan-2-yldiazepan-3-amine
CID 134220025
1-butyl-2-methyl-1-octan-2-ylcyclohexane
CID 163529838
3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892409
1-cyclopropyloctylcyclopropane
CID 141276542
1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine
CID 155392460
2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine
CID 64837896
1-decyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 64839450
tetradecan-2-amine;hydrobromide
CID 175070931
octan-2-ylcyclopropane
CID 18968125
1-(4,4-dimethylcyclohexyl)octan-1-amine
CID 65391803
2,2-diethyl-1-octyl-5-propan-2-ylpiperazine
CID 64839848
2,2-diethyl-1-hexyl-5-propan-2-ylpiperazine
CID 64839461

Frequently Asked Questions

What is the IUPAC name of 4-octan-2-yl-7-propan-2-yldiazepan-4-amine?
The IUPAC name of 4-octan-2-yl-7-propan-2-yldiazepan-4-amine (CID 134220095) is 4-octan-2-yl-7-propan-2-yldiazepan-4-amine.
What is the SMILES notation for 4-octan-2-yl-7-propan-2-yldiazepan-4-amine?
The canonical SMILES for 4-octan-2-yl-7-propan-2-yldiazepan-4-amine is CCCCCCC(C)C1(N)CCC(C(C)C)NNC1.
What is the InChIKey of 4-octan-2-yl-7-propan-2-yldiazepan-4-amine?
The InChIKey is QIFKWVUAMHBMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-5-6-7-8-9-14(4)16(17)11-10-15(13(2)3)19-18-12-16/h13-15,18-19H,5-12,17H2,1-4H3.
What are the key properties of 4-octan-2-yl-7-propan-2-yldiazepan-4-amine?
4-octan-2-yl-7-propan-2-yldiazepan-4-amine has a molecular weight of 269.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octan-2-yl-7-propan-2-yldiazepan-4-amine is sourced from PubChem (CID 134220095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).