N-(furan-3-ylmethyl)cyclohexanamine;hydrochloride

C11H18ClNO — CID 45074815

IUPACN-(furan-3-ylmethyl)cyclohexanamine;hydrochloride
SMILESCl.c1cc(CNC2CCCCC2)co1
InChIInChI=1S/C11H17NO.ClH/c1-2-4-11(5-3-1)12-8-10-6-7-13-9-10;/h6-7,9,11-12H,1-5,8H2;1H
InChIKeyDANMOFJBKXRGJK-UHFFFAOYSA-N
MW215.72 g/mol
LogP3.12
Rot. Bonds3

About N-(furan-3-ylmethyl)cyclohexanamine;hydrochloride

N-(furan-3-ylmethyl)cyclohexanamine;hydrochloride (PubChem CID 45074815) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)cyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)cyclohexanamine;hydrochloride
PubChem CID45074815
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC NameN-(furan-3-ylmethyl)cyclohexanamine;hydrochloride
SMILESCl.c1cc(CNC2CCCCC2)co1
InChIInChI=1S/C11H17NO.ClH/c1-2-4-11(5-3-1)12-8-10-6-7-13-9-10;/h6-7,9,11-12H,1-5,8H2;1H
InChIKeyDANMOFJBKXRGJK-UHFFFAOYSA-N
XLogP3.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)cyclohexanamine;hydrochloride?
The IUPAC name of N-(furan-3-ylmethyl)cyclohexanamine;hydrochloride (CID 45074815) is N-(furan-3-ylmethyl)cyclohexanamine;hydrochloride.
What is the SMILES notation for N-(furan-3-ylmethyl)cyclohexanamine;hydrochloride?
The canonical SMILES for N-(furan-3-ylmethyl)cyclohexanamine;hydrochloride is Cl.c1cc(CNC2CCCCC2)co1.
What is the InChIKey of N-(furan-3-ylmethyl)cyclohexanamine;hydrochloride?
The InChIKey is DANMOFJBKXRGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-2-4-11(5-3-1)12-8-10-6-7-13-9-10;/h6-7,9,11-12H,1-5,8H2;1H.
What are the key properties of N-(furan-3-ylmethyl)cyclohexanamine;hydrochloride?
N-(furan-3-ylmethyl)cyclohexanamine;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)cyclohexanamine;hydrochloride is sourced from PubChem (CID 45074815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).