N-(2-chloroethyl)-1-propan-2-ylcyclohexan-1-amine;hydrochloride

C11H23Cl2N — CID 21287243

IUPACN-(2-chloroethyl)-1-propan-2-ylcyclohexan-1-amine;hydrochloride
SMILESCC(C)C1(NCCCl)CCCCC1.Cl
InChIInChI=1S/C11H22ClN.ClH/c1-10(2)11(13-9-8-12)6-4-3-5-7-11;/h10,13H,3-9H2,1-2H3;1H
InChIKeySMGNMINXWARODS-UHFFFAOYSA-N
MW240.22 g/mol
LogP3.60
Rot. Bonds4

About N-(2-chloroethyl)-1-propan-2-ylcyclohexan-1-amine;hydrochloride

N-(2-chloroethyl)-1-propan-2-ylcyclohexan-1-amine;hydrochloride (PubChem CID 21287243) has the molecular formula C11H23Cl2N and a molecular weight of 240.22 g/mol. Its IUPAC name is N-(2-chloroethyl)-1-propan-2-ylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-chloroethyl)-1-propan-2-ylcyclohexan-1-amine;hydrochloride
PubChem CID21287243
Molecular FormulaC11H23Cl2N
Molecular Weight240.22 g/mol
Exact Mass239.12
IUPAC NameN-(2-chloroethyl)-1-propan-2-ylcyclohexan-1-amine;hydrochloride
SMILESCC(C)C1(NCCCl)CCCCC1.Cl
InChIInChI=1S/C11H22ClN.ClH/c1-10(2)11(13-9-8-12)6-4-3-5-7-11;/h10,13H,3-9H2,1-2H3;1H
InChIKeySMGNMINXWARODS-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-1-propan-2-ylcyclohexan-1-amine;hydrochloride?
The IUPAC name of N-(2-chloroethyl)-1-propan-2-ylcyclohexan-1-amine;hydrochloride (CID 21287243) is N-(2-chloroethyl)-1-propan-2-ylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for N-(2-chloroethyl)-1-propan-2-ylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for N-(2-chloroethyl)-1-propan-2-ylcyclohexan-1-amine;hydrochloride is CC(C)C1(NCCCl)CCCCC1.Cl.
What is the InChIKey of N-(2-chloroethyl)-1-propan-2-ylcyclohexan-1-amine;hydrochloride?
The InChIKey is SMGNMINXWARODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN.ClH/c1-10(2)11(13-9-8-12)6-4-3-5-7-11;/h10,13H,3-9H2,1-2H3;1H.
What are the key properties of N-(2-chloroethyl)-1-propan-2-ylcyclohexan-1-amine;hydrochloride?
N-(2-chloroethyl)-1-propan-2-ylcyclohexan-1-amine;hydrochloride has a molecular weight of 240.22 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-1-propan-2-ylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 21287243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).