[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine

C18H37N3 — CID 65283742

IUPAC[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
SMILESCC(C)N1CCCC(CN)(N2CCCC(C)(C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-16(2)20-11-6-8-18(15-19,10-13-20)21-12-5-7-17(3,4)9-14-21/h16H,5-15,19H2,1-4H3
InChIKeyGSWPAIKASQPXOC-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.09
Rot. Bonds3

About [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine

[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine (PubChem CID 65283742) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
PubChem CID65283742
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
SMILESCC(C)N1CCCC(CN)(N2CCCC(C)(C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-16(2)20-11-6-8-18(15-19,10-13-20)21-12-5-7-17(3,4)9-14-21/h16H,5-15,19H2,1-4H3
InChIKeyGSWPAIKASQPXOC-UHFFFAOYSA-N
XLogP3.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine?
The IUPAC name of [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine (CID 65283742) is [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine.
What is the SMILES notation for [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine?
The canonical SMILES for [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine is CC(C)N1CCCC(CN)(N2CCCC(C)(C)CC2)CC1.
What is the InChIKey of [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine?
The InChIKey is GSWPAIKASQPXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-16(2)20-11-6-8-18(15-19,10-13-20)21-12-5-7-17(3,4)9-14-21/h16H,5-15,19H2,1-4H3.
What are the key properties of [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine?
[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine has a molecular weight of 295.51 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine is sourced from PubChem (CID 65283742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).