3-methyl-1-propan-2-ylazepan-3-amine

C10H22N2 — CID 154651436

IUPAC3-methyl-1-propan-2-ylazepan-3-amine
SMILESCC(C)N1CCCCC(C)(N)C1
InChIInChI=1S/C10H22N2/c1-9(2)12-7-5-4-6-10(3,11)8-12/h9H,4-8,11H2,1-3H3
InChIKeyJZOCFJQTPFUJRY-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.60
Rot. Bonds1

About 3-methyl-1-propan-2-ylazepan-3-amine

3-methyl-1-propan-2-ylazepan-3-amine (PubChem CID 154651436) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-methyl-1-propan-2-ylazepan-3-amine.

Molecular Properties

Compound Name3-methyl-1-propan-2-ylazepan-3-amine
PubChem CID154651436
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name3-methyl-1-propan-2-ylazepan-3-amine
SMILESCC(C)N1CCCCC(C)(N)C1
InChIInChI=1S/C10H22N2/c1-9(2)12-7-5-4-6-10(3,11)8-12/h9H,4-8,11H2,1-3H3
InChIKeyJZOCFJQTPFUJRY-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-ylazepan-3-amine?
The IUPAC name of 3-methyl-1-propan-2-ylazepan-3-amine (CID 154651436) is 3-methyl-1-propan-2-ylazepan-3-amine.
What is the SMILES notation for 3-methyl-1-propan-2-ylazepan-3-amine?
The canonical SMILES for 3-methyl-1-propan-2-ylazepan-3-amine is CC(C)N1CCCCC(C)(N)C1.
What is the InChIKey of 3-methyl-1-propan-2-ylazepan-3-amine?
The InChIKey is JZOCFJQTPFUJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(2)12-7-5-4-6-10(3,11)8-12/h9H,4-8,11H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-ylazepan-3-amine?
3-methyl-1-propan-2-ylazepan-3-amine has a molecular weight of 170.30 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-ylazepan-3-amine is sourced from PubChem (CID 154651436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).