4-amino-4-(cyclopent-3-en-1-ylmethyl)cyclohexan-1-ol

C12H21NO — CID 164652613

IUPAC4-amino-4-(cyclopent-3-en-1-ylmethyl)cyclohexan-1-ol
SMILESNC1(CC2CC=CC2)CCC(O)CC1
InChIInChI=1S/C12H21NO/c13-12(7-5-11(14)6-8-12)9-10-3-1-2-4-10/h1-2,10-11,14H,3-9,13H2
InChIKeyQANVHOLCRWOFIU-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.98
Rot. Bonds2

About 4-amino-4-(cyclopent-3-en-1-ylmethyl)cyclohexan-1-ol

4-amino-4-(cyclopent-3-en-1-ylmethyl)cyclohexan-1-ol (PubChem CID 164652613) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-amino-4-(cyclopent-3-en-1-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-4-(cyclopent-3-en-1-ylmethyl)cyclohexan-1-ol
PubChem CID164652613
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-amino-4-(cyclopent-3-en-1-ylmethyl)cyclohexan-1-ol
SMILESNC1(CC2CC=CC2)CCC(O)CC1
InChIInChI=1S/C12H21NO/c13-12(7-5-11(14)6-8-12)9-10-3-1-2-4-10/h1-2,10-11,14H,3-9,13H2
InChIKeyQANVHOLCRWOFIU-UHFFFAOYSA-N
XLogP1.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol
CID 126979079
1-(cyclopropylmethyl)cyclopropan-1-amine;hydrochloride
CID 131637609
4-amino-4-(2,2-difluoroethyl)cyclohexan-1-ol
CID 164655200
1-(cycloheptylmethyl)cyclopropan-1-amine
CID 83682636
4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 130531663
1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 130515407
4-amino-4-(2-methylsulfinylethyl)cyclohexan-1-ol
CID 130914134
4-(cyclopropylmethyl)oxan-4-amine
CID 91654794
4,4-bis(2-hydroxyethyl)cyclohexan-1-ol
CID 141270843
cyclopropanamine;cyclopropanol
CID 67718225
1-(oxan-4-ylmethyl)cyclobutan-1-amine
CID 65196383
1-[(4-ethenylcyclohex-3-en-1-yl)methyl]cyclopropan-1-amine
CID 126604534

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(cyclopent-3-en-1-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-amino-4-(cyclopent-3-en-1-ylmethyl)cyclohexan-1-ol (CID 164652613) is 4-amino-4-(cyclopent-3-en-1-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-4-(cyclopent-3-en-1-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-4-(cyclopent-3-en-1-ylmethyl)cyclohexan-1-ol is NC1(CC2CC=CC2)CCC(O)CC1.
What is the InChIKey of 4-amino-4-(cyclopent-3-en-1-ylmethyl)cyclohexan-1-ol?
The InChIKey is QANVHOLCRWOFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-12(7-5-11(14)6-8-12)9-10-3-1-2-4-10/h1-2,10-11,14H,3-9,13H2.
What are the key properties of 4-amino-4-(cyclopent-3-en-1-ylmethyl)cyclohexan-1-ol?
4-amino-4-(cyclopent-3-en-1-ylmethyl)cyclohexan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(cyclopent-3-en-1-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 164652613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).