3-ethyl-N-methylazepan-3-amine

C9H20N2 — CID 170571566

IUPAC3-ethyl-N-methylazepan-3-amine
SMILESCCC1(NC)CCCCNC1
InChIInChI=1S/C9H20N2/c1-3-9(10-2)6-4-5-7-11-8-9/h10-11H,3-8H2,1-2H3
InChIKeyBXPYVJRCCRDHLG-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.13
Rot. Bonds2

About 3-ethyl-N-methylazepan-3-amine

3-ethyl-N-methylazepan-3-amine (PubChem CID 170571566) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-ethyl-N-methylazepan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-methylazepan-3-amine
PubChem CID170571566
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name3-ethyl-N-methylazepan-3-amine
SMILESCCC1(NC)CCCCNC1
InChIInChI=1S/C9H20N2/c1-3-9(10-2)6-4-5-7-11-8-9/h10-11H,3-8H2,1-2H3
InChIKeyBXPYVJRCCRDHLG-UHFFFAOYSA-N
XLogP1.13
TPSA24.06 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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-methylpiperidin-3-amine
CID 105428576
ethane;1-ethyl-N-methylcyclobutan-1-amine
CID 171514918
1-ethyl-N-(1-ethylcyclopentyl)cyclopentan-1-amine
CID 22930909
tert-butyl N-(3-ethylpiperidin-3-yl)carbamate
CID 84726051
N-chloro-1-ethylcycloheptan-1-amine
CID 142970343
N-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 75513772
N-phosphanylmethanamine;pyrrolidine
CID 91273779
ethane;N-methyl-4-propylpiperidin-4-amine
CID 144797680
3-ethyl-N-[2-(methylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63130528
3-tert-butyl-3-ethylpiperidine
CID 89426414
7-azaspiro[4.6]undecane
CID 75488634
N-[(3-ethylpiperidin-3-yl)methyl]propan-2-amine
CID 63133337

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methylazepan-3-amine?
The IUPAC name of 3-ethyl-N-methylazepan-3-amine (CID 170571566) is 3-ethyl-N-methylazepan-3-amine.
What is the SMILES notation for 3-ethyl-N-methylazepan-3-amine?
The canonical SMILES for 3-ethyl-N-methylazepan-3-amine is CCC1(NC)CCCCNC1.
What is the InChIKey of 3-ethyl-N-methylazepan-3-amine?
The InChIKey is BXPYVJRCCRDHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-9(10-2)6-4-5-7-11-8-9/h10-11H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-N-methylazepan-3-amine?
3-ethyl-N-methylazepan-3-amine has a molecular weight of 156.27 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methylazepan-3-amine is sourced from PubChem (CID 170571566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).