(4-propylazepan-2-yl)methanamine

C10H22N2 — CID 69019189

IUPAC(4-propylazepan-2-yl)methanamine
SMILESCCCC1CCCNC(CN)C1
InChIInChI=1S/C10H22N2/c1-2-4-9-5-3-6-12-10(7-9)8-11/h9-10,12H,2-8,11H2,1H3
InChIKeySCJRWMFHQZNMLA-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.50
Rot. Bonds3

About (4-propylazepan-2-yl)methanamine

(4-propylazepan-2-yl)methanamine (PubChem CID 69019189) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (4-propylazepan-2-yl)methanamine.

Molecular Properties

Compound Name(4-propylazepan-2-yl)methanamine
PubChem CID69019189
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(4-propylazepan-2-yl)methanamine
SMILESCCCC1CCCNC(CN)C1
InChIInChI=1S/C10H22N2/c1-2-4-9-5-3-6-12-10(7-9)8-11/h9-10,12H,2-8,11H2,1H3
InChIKeySCJRWMFHQZNMLA-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propylazepan-2-yl)methanamine?
The IUPAC name of (4-propylazepan-2-yl)methanamine (CID 69019189) is (4-propylazepan-2-yl)methanamine.
What is the SMILES notation for (4-propylazepan-2-yl)methanamine?
The canonical SMILES for (4-propylazepan-2-yl)methanamine is CCCC1CCCNC(CN)C1.
What is the InChIKey of (4-propylazepan-2-yl)methanamine?
The InChIKey is SCJRWMFHQZNMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-2-4-9-5-3-6-12-10(7-9)8-11/h9-10,12H,2-8,11H2,1H3.
What are the key properties of (4-propylazepan-2-yl)methanamine?
(4-propylazepan-2-yl)methanamine has a molecular weight of 170.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylazepan-2-yl)methanamine is sourced from PubChem (CID 69019189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).