4-(cyclopentylmethylidene)cyclohexan-1-amine;hydrochloride

C12H22ClN — CID 126845488

IUPAC4-(cyclopentylmethylidene)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(=CC2CCCC2)CC1
InChIInChI=1S/C12H21N.ClH/c13-12-7-5-11(6-8-12)9-10-3-1-2-4-10;/h9-10,12H,1-8,13H2;1H/b11-9-;
InChIKeyVRSJSZWMMFAVKH-KSIDEHCFSA-N
MW215.77 g/mol
LogP3.43
Rot. Bonds1

About 4-(cyclopentylmethylidene)cyclohexan-1-amine;hydrochloride

4-(cyclopentylmethylidene)cyclohexan-1-amine;hydrochloride (PubChem CID 126845488) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is 4-(cyclopentylmethylidene)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(cyclopentylmethylidene)cyclohexan-1-amine;hydrochloride
PubChem CID126845488
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC Name4-(cyclopentylmethylidene)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(=CC2CCCC2)CC1
InChIInChI=1S/C12H21N.ClH/c13-12-7-5-11(6-8-12)9-10-3-1-2-4-10;/h9-10,12H,1-8,13H2;1H/b11-9-;
InChIKeyVRSJSZWMMFAVKH-KSIDEHCFSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopentylmethylidene)cyclopentan-1-amine
CID 79880753
cyclopropylidenemethylcyclopentane
CID 148648629
azane;cyclopentanamine
CID 69254255
azane;cycloheptanamine
CID 135353953
4-pentylidenecyclohexan-1-amine
CID 79880726
CID 175698442
CID 175698442
cyclopentanamine;platinum(2+)
CID 21144800
cyclopropanamine;hydrochloride;hydrofluoride
CID 174873111
cyclohexane-1,4-diamine;hydrochloride
CID 54599176
4-pent-4-enylidenecyclohexan-1-amine
CID 79880307
(1,2,3-13C3)cyclopropanamine
CID 76972988
4-(cyclopropylmethylidene)-1,1-difluorocyclohexane
CID 165450649

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylidene)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-(cyclopentylmethylidene)cyclohexan-1-amine;hydrochloride (CID 126845488) is 4-(cyclopentylmethylidene)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-(cyclopentylmethylidene)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-(cyclopentylmethylidene)cyclohexan-1-amine;hydrochloride is Cl.NC1CCC(=CC2CCCC2)CC1.
What is the InChIKey of 4-(cyclopentylmethylidene)cyclohexan-1-amine;hydrochloride?
The InChIKey is VRSJSZWMMFAVKH-KSIDEHCFSA-N. The full InChI is InChI=1S/C12H21N.ClH/c13-12-7-5-11(6-8-12)9-10-3-1-2-4-10;/h9-10,12H,1-8,13H2;1H/b11-9-;.
What are the key properties of 4-(cyclopentylmethylidene)cyclohexan-1-amine;hydrochloride?
4-(cyclopentylmethylidene)cyclohexan-1-amine;hydrochloride has a molecular weight of 215.77 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylidene)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 126845488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).