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

C11H20ClN — CID 63243851

IUPAC2-chloro-N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCC1CCC(C)CC1
InChIInChI=1S/C11H20ClN/c1-9-3-5-11(6-4-9)8-13-7-10(2)12/h9,11,13H,2-8H2,1H3
InChIKeyZIGGHXRKHADJJJ-UHFFFAOYSA-N
MW201.74 g/mol
LogP3.15
Rot. Bonds4

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

2-chloro-N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine (PubChem CID 63243851) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is 2-chloro-N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine
PubChem CID63243851
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Name2-chloro-N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCC1CCC(C)CC1
InChIInChI=1S/C11H20ClN/c1-9-3-5-11(6-4-9)8-13-7-10(2)12/h9,11,13H,2-8H2,1H3
InChIKeyZIGGHXRKHADJJJ-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 53.15
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-methylcyclohexyl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine (CID 63243851) is 2-chloro-N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine is C=C(Cl)CNCC1CCC(C)CC1.
What is the InChIKey of 2-chloro-N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine?
The InChIKey is ZIGGHXRKHADJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN/c1-9-3-5-11(6-4-9)8-13-7-10(2)12/h9,11,13H,2-8H2,1H3.
What are the key properties of 2-chloro-N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine?
2-chloro-N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine has a molecular weight of 201.74 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 63243851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).