1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-4,4-dimethylcycloheptan-1-amine

C17H32N2 — CID 106173434

IUPAC1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(CN)(NCCC2=CCCC2)CC1
InChIInChI=1S/C17H32N2/c1-16(2)9-5-10-17(14-18,12-11-16)19-13-8-15-6-3-4-7-15/h6,19H,3-5,7-14,18H2,1-2H3
InChIKeyBHXKKFKTIUHUHP-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.76
Rot. Bonds5

About 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-4,4-dimethylcycloheptan-1-amine

1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-4,4-dimethylcycloheptan-1-amine (PubChem CID 106173434) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-4,4-dimethylcycloheptan-1-amine
PubChem CID106173434
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(CN)(NCCC2=CCCC2)CC1
InChIInChI=1S/C17H32N2/c1-16(2)9-5-10-17(14-18,12-11-16)19-13-8-15-6-3-4-7-15/h6,19H,3-5,7-14,18H2,1-2H3
InChIKeyBHXKKFKTIUHUHP-UHFFFAOYSA-N
XLogP3.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.76
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-methylcyclohexan-1-amine
CID 106173193
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclobutan-1-amine
CID 106173190
4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine
CID 106173472
3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine
CID 114153856
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine
CID 114153855
4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine
CID 106173479
3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine
CID 106173343
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 106173363
1-(aminomethyl)-N-but-3-ynyl-4,4-dimethylcycloheptan-1-amine
CID 116641100
N-[2-(cyclopenten-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 104531626
N-[2-(cyclopenten-1-yl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 115895909
N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine
CID 79003964

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-4,4-dimethylcycloheptan-1-amine (CID 106173434) is 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-4,4-dimethylcycloheptan-1-amine is CC1(C)CCCC(CN)(NCCC2=CCCC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-4,4-dimethylcycloheptan-1-amine?
The InChIKey is BHXKKFKTIUHUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-16(2)9-5-10-17(14-18,12-11-16)19-13-8-15-6-3-4-7-15/h6,19H,3-5,7-14,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-4,4-dimethylcycloheptan-1-amine?
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-4,4-dimethylcycloheptan-1-amine has a molecular weight of 264.46 g/mol, XLogP of 3.76, 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]-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 106173434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).