1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine

C15H28N2 — CID 106173193

IUPAC1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(CN)(NCCC2=CCCC2)C1
InChIInChI=1S/C15H28N2/c1-13-5-4-9-15(11-13,12-16)17-10-8-14-6-2-3-7-14/h6,13,17H,2-5,7-12,16H2,1H3
InChIKeyMQTBZSJHYBDUOA-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.98
Rot. Bonds5

About 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine

1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine (PubChem CID 106173193) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine
PubChem CID106173193
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(CN)(NCCC2=CCCC2)C1
InChIInChI=1S/C15H28N2/c1-13-5-4-9-15(11-13,12-16)17-10-8-14-6-2-3-7-14/h6,13,17H,2-5,7-12,16H2,1H3
InChIKeyMQTBZSJHYBDUOA-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.98
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

1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclobutan-1-amine
CID 106173190
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine
CID 114153855
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-4,4-dimethylcycloheptan-1-amine
CID 106173434
4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine
CID 106173472
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 106173363
3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine
CID 106173343
4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine
CID 106173479
1-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 64550463
3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine
CID 114153856
1-(aminomethyl)-N-but-3-ynyl-3-methylcyclohexan-1-amine
CID 116641321
N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 65384408
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine
CID 115406357

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine (CID 106173193) is 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine is CC1CCCC(CN)(NCCC2=CCCC2)C1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine?
The InChIKey is MQTBZSJHYBDUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-13-5-4-9-15(11-13,12-16)17-10-8-14-6-2-3-7-14/h6,13,17H,2-5,7-12,16H2,1H3.
What are the key properties of 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine?
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 106173193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).