1-(4-ethylcycloheptyl)azetidin-3-amine

C12H24N2 — CID 65244485

IUPAC1-(4-ethylcycloheptyl)azetidin-3-amine
SMILESCCC1CCCC(N2CC(N)C2)CC1
InChIInChI=1S/C12H24N2/c1-2-10-4-3-5-12(7-6-10)14-8-11(13)9-14/h10-12H,2-9,13H2,1H3
InChIKeyNYJMWBCENTUOGZ-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.99
Rot. Bonds2

About 1-(4-ethylcycloheptyl)azetidin-3-amine

1-(4-ethylcycloheptyl)azetidin-3-amine (PubChem CID 65244485) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(4-ethylcycloheptyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(4-ethylcycloheptyl)azetidin-3-amine
PubChem CID65244485
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(4-ethylcycloheptyl)azetidin-3-amine
SMILESCCC1CCCC(N2CC(N)C2)CC1
InChIInChI=1S/C12H24N2/c1-2-10-4-3-5-12(7-6-10)14-8-11(13)9-14/h10-12H,2-9,13H2,1H3
InChIKeyNYJMWBCENTUOGZ-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-ethylazetidine
CID 126716457
1-cyclohexyl-5-ethylpiperidin-3-amine
CID 83989282
3-ethyl-1-azabicyclo[5.2.0]nonane
CID 89423692
8-(4-ethylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65085463
1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine
CID 65086223
1-cyclopropyl-3-ethylpiperidine
CID 76560892
6-(4-ethylcycloheptyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678338
[(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol
CID 40506920
ethylcyclobutane;methanamine
CID 175532329
(5S)-5-ethylcyclononan-1-amine
CID 163875041
1-(3-ethylcyclopentyl)piperidin-3-amine
CID 64513357
1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine
CID 107429401

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcycloheptyl)azetidin-3-amine?
The IUPAC name of 1-(4-ethylcycloheptyl)azetidin-3-amine (CID 65244485) is 1-(4-ethylcycloheptyl)azetidin-3-amine.
What is the SMILES notation for 1-(4-ethylcycloheptyl)azetidin-3-amine?
The canonical SMILES for 1-(4-ethylcycloheptyl)azetidin-3-amine is CCC1CCCC(N2CC(N)C2)CC1.
What is the InChIKey of 1-(4-ethylcycloheptyl)azetidin-3-amine?
The InChIKey is NYJMWBCENTUOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-2-10-4-3-5-12(7-6-10)14-8-11(13)9-14/h10-12H,2-9,13H2,1H3.
What are the key properties of 1-(4-ethylcycloheptyl)azetidin-3-amine?
1-(4-ethylcycloheptyl)azetidin-3-amine has a molecular weight of 196.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcycloheptyl)azetidin-3-amine is sourced from PubChem (CID 65244485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).