1-(2,2-dimethyloctan-3-yl)-3-methylazepan-3-amine

C17H36N2 — CID 58219311

IUPAC1-(2,2-dimethyloctan-3-yl)-3-methylazepan-3-amine
SMILESCCCCCC(N1CCCCC(C)(N)C1)C(C)(C)C
InChIInChI=1S/C17H36N2/c1-6-7-8-11-15(16(2,3)4)19-13-10-9-12-17(5,18)14-19/h15H,6-14,18H2,1-5H3
InChIKeyIDCZDJNHSLWCFA-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.18
Rot. Bonds5

About 1-(2,2-dimethyloctan-3-yl)-3-methylazepan-3-amine

1-(2,2-dimethyloctan-3-yl)-3-methylazepan-3-amine (PubChem CID 58219311) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(2,2-dimethyloctan-3-yl)-3-methylazepan-3-amine.

Molecular Properties

Compound Name1-(2,2-dimethyloctan-3-yl)-3-methylazepan-3-amine
PubChem CID58219311
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(2,2-dimethyloctan-3-yl)-3-methylazepan-3-amine
SMILESCCCCCC(N1CCCCC(C)(N)C1)C(C)(C)C
InChIInChI=1S/C17H36N2/c1-6-7-8-11-15(16(2,3)4)19-13-10-9-12-17(5,18)14-19/h15H,6-14,18H2,1-5H3
InChIKeyIDCZDJNHSLWCFA-UHFFFAOYSA-N
XLogP4.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloctan-3-yl)-3-methylazepan-3-amine?
The IUPAC name of 1-(2,2-dimethyloctan-3-yl)-3-methylazepan-3-amine (CID 58219311) is 1-(2,2-dimethyloctan-3-yl)-3-methylazepan-3-amine.
What is the SMILES notation for 1-(2,2-dimethyloctan-3-yl)-3-methylazepan-3-amine?
The canonical SMILES for 1-(2,2-dimethyloctan-3-yl)-3-methylazepan-3-amine is CCCCCC(N1CCCCC(C)(N)C1)C(C)(C)C.
What is the InChIKey of 1-(2,2-dimethyloctan-3-yl)-3-methylazepan-3-amine?
The InChIKey is IDCZDJNHSLWCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-7-8-11-15(16(2,3)4)19-13-10-9-12-17(5,18)14-19/h15H,6-14,18H2,1-5H3.
What are the key properties of 1-(2,2-dimethyloctan-3-yl)-3-methylazepan-3-amine?
1-(2,2-dimethyloctan-3-yl)-3-methylazepan-3-amine has a molecular weight of 268.49 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloctan-3-yl)-3-methylazepan-3-amine is sourced from PubChem (CID 58219311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).