2-(cyclopenten-1-ylmethoxy)cyclohexan-1-amine

C12H21NO — CID 131173005

IUPAC2-(cyclopenten-1-ylmethoxy)cyclohexan-1-amine
SMILESNC1CCCCC1OCC1=CCCC1
InChIInChI=1S/C12H21NO/c13-11-7-3-4-8-12(11)14-9-10-5-1-2-6-10/h5,11-12H,1-4,6-9,13H2
InChIKeyWEHJBYDOTNTSHV-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.38
Rot. Bonds3

About 2-(cyclopenten-1-ylmethoxy)cyclohexan-1-amine

2-(cyclopenten-1-ylmethoxy)cyclohexan-1-amine (PubChem CID 131173005) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(cyclopenten-1-ylmethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(cyclopenten-1-ylmethoxy)cyclohexan-1-amine
PubChem CID131173005
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(cyclopenten-1-ylmethoxy)cyclohexan-1-amine
SMILESNC1CCCCC1OCC1=CCCC1
InChIInChI=1S/C12H21NO/c13-11-7-3-4-8-12(11)14-9-10-5-1-2-6-10/h5,11-12H,1-4,6-9,13H2
InChIKeyWEHJBYDOTNTSHV-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,3R)-5-methyl-3-pentan-3-yloxycyclohex-4-ene-1,2-diamine
CID 71026500
4-Cyclopentyloxy-2-methylcyclohex-2-en-1-amine
CID 89154099
2-(Cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane
CID 143456439
3-Methyl-5-pentan-3-yloxycyclohex-3-en-1-amine
CID 145594625
(3R,6R)-6-[(Z)-but-2-en-2-yl]oxan-3-amine
CID 173844489
3-(Propan-2-yloxymethyl)cyclohex-2-en-1-amine
CID 79568783
3-(Propan-2-yloxymethyl)cyclopent-2-en-1-amine
CID 79569409
4-(Oxolan-2-ylmethylidene)cyclohexan-1-amine
CID 79879471
3-[2-(Oxolan-2-yl)ethylidene]cyclohexan-1-amine
CID 79879823
(3Z)-3-(oxolan-2-ylmethylidene)cyclohexan-1-amine
CID 79880456
4-[2-(Oxolan-2-yl)ethylidene]cyclohexan-1-amine
CID 79880517
4-[(5-Methyloxolan-2-yl)methylidene]cyclohexan-1-amine
CID 103143059

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-ylmethoxy)cyclohexan-1-amine?
The IUPAC name of 2-(cyclopenten-1-ylmethoxy)cyclohexan-1-amine (CID 131173005) is 2-(cyclopenten-1-ylmethoxy)cyclohexan-1-amine.
What is the SMILES notation for 2-(cyclopenten-1-ylmethoxy)cyclohexan-1-amine?
The canonical SMILES for 2-(cyclopenten-1-ylmethoxy)cyclohexan-1-amine is NC1CCCCC1OCC1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-ylmethoxy)cyclohexan-1-amine?
The InChIKey is WEHJBYDOTNTSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-11-7-3-4-8-12(11)14-9-10-5-1-2-6-10/h5,11-12H,1-4,6-9,13H2.
What are the key properties of 2-(cyclopenten-1-ylmethoxy)cyclohexan-1-amine?
2-(cyclopenten-1-ylmethoxy)cyclohexan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-ylmethoxy)cyclohexan-1-amine is sourced from PubChem (CID 131173005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).