(4-ethylazepan-2-yl)methanamine

C9H20N2 — CID 69023102

IUPAC(4-ethylazepan-2-yl)methanamine
SMILESCCC1CCCNC(CN)C1
InChIInChI=1S/C9H20N2/c1-2-8-4-3-5-11-9(6-8)7-10/h8-9,11H,2-7,10H2,1H3
InChIKeyBVDSAQWCRYSVQA-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.11
Rot. Bonds2

About (4-ethylazepan-2-yl)methanamine

(4-ethylazepan-2-yl)methanamine (PubChem CID 69023102) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (4-ethylazepan-2-yl)methanamine.

Molecular Properties

Compound Name(4-ethylazepan-2-yl)methanamine
PubChem CID69023102
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(4-ethylazepan-2-yl)methanamine
SMILESCCC1CCCNC(CN)C1
InChIInChI=1S/C9H20N2/c1-2-8-4-3-5-11-9(6-8)7-10/h8-9,11H,2-7,10H2,1H3
InChIKeyBVDSAQWCRYSVQA-UHFFFAOYSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethylazepan-2-yl)methanamine?
The IUPAC name of (4-ethylazepan-2-yl)methanamine (CID 69023102) is (4-ethylazepan-2-yl)methanamine.
What is the SMILES notation for (4-ethylazepan-2-yl)methanamine?
The canonical SMILES for (4-ethylazepan-2-yl)methanamine is CCC1CCCNC(CN)C1.
What is the InChIKey of (4-ethylazepan-2-yl)methanamine?
The InChIKey is BVDSAQWCRYSVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-8-4-3-5-11-9(6-8)7-10/h8-9,11H,2-7,10H2,1H3.
What are the key properties of (4-ethylazepan-2-yl)methanamine?
(4-ethylazepan-2-yl)methanamine has a molecular weight of 156.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylazepan-2-yl)methanamine is sourced from PubChem (CID 69023102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).