2-chloro-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine

C12H22ClN — CID 60972607

IUPAC2-chloro-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCC1CCC(CC)CC1
InChIInChI=1S/C12H22ClN/c1-3-11-4-6-12(7-5-11)9-14-8-10(2)13/h11-12,14H,2-9H2,1H3
InChIKeyJHJNCNBKNRSKMZ-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.54
Rot. Bonds5

About 2-chloro-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine

2-chloro-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine (PubChem CID 60972607) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is 2-chloro-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
PubChem CID60972607
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC Name2-chloro-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCC1CCC(CC)CC1
InChIInChI=1S/C12H22ClN/c1-3-11-4-6-12(7-5-11)9-14-8-10(2)13/h11-12,14H,2-9H2,1H3
InChIKeyJHJNCNBKNRSKMZ-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine (CID 60972607) is 2-chloro-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine is C=C(Cl)CNCC1CCC(CC)CC1.
What is the InChIKey of 2-chloro-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine?
The InChIKey is JHJNCNBKNRSKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN/c1-3-11-4-6-12(7-5-11)9-14-8-10(2)13/h11-12,14H,2-9H2,1H3.
What are the key properties of 2-chloro-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine?
2-chloro-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine has a molecular weight of 215.77 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 60972607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).