2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine

C12H26N2 — CID 43294515

IUPAC2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine
SMILESCCCCCN(C)C1CCCC1CN
InChIInChI=1S/C12H26N2/c1-3-4-5-9-14(2)12-8-6-7-11(12)10-13/h11-12H,3-10,13H2,1-2H3
InChIKeyCJVLGWJQSATFCZ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.24
Rot. Bonds6

About 2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine

2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine (PubChem CID 43294515) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine
PubChem CID43294515
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine
SMILESCCCCCN(C)C1CCCC1CN
InChIInChI=1S/C12H26N2/c1-3-4-5-9-14(2)12-8-6-7-11(12)10-13/h11-12H,3-10,13H2,1-2H3
InChIKeyCJVLGWJQSATFCZ-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine (CID 43294515) is 2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine is CCCCCN(C)C1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine?
The InChIKey is CJVLGWJQSATFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-4-5-9-14(2)12-8-6-7-11(12)10-13/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine?
2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine is sourced from PubChem (CID 43294515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).