1,2-bis(3-aminopropyl)-N-methylcyclopentan-1-amine

C12H27N3 — CID 164897744

IUPAC1,2-bis(3-aminopropyl)-N-methylcyclopentan-1-amine
SMILESCNC1(CCCN)CCCC1CCCN
InChIInChI=1S/C12H27N3/c1-15-12(8-4-10-14)7-2-5-11(12)6-3-9-13/h11,15H,2-10,13-14H2,1H3
InChIKeyWWACPEPXQPBYGX-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.22
Rot. Bonds7

About 1,2-bis(3-aminopropyl)-N-methylcyclopentan-1-amine

1,2-bis(3-aminopropyl)-N-methylcyclopentan-1-amine (PubChem CID 164897744) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1,2-bis(3-aminopropyl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name1,2-bis(3-aminopropyl)-N-methylcyclopentan-1-amine
PubChem CID164897744
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1,2-bis(3-aminopropyl)-N-methylcyclopentan-1-amine
SMILESCNC1(CCCN)CCCC1CCCN
InChIInChI=1S/C12H27N3/c1-15-12(8-4-10-14)7-2-5-11(12)6-3-9-13/h11,15H,2-10,13-14H2,1H3
InChIKeyWWACPEPXQPBYGX-UHFFFAOYSA-N
XLogP1.22
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-aminopropyl)-N-methylcyclopentan-1-amine?
The IUPAC name of 1,2-bis(3-aminopropyl)-N-methylcyclopentan-1-amine (CID 164897744) is 1,2-bis(3-aminopropyl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 1,2-bis(3-aminopropyl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 1,2-bis(3-aminopropyl)-N-methylcyclopentan-1-amine is CNC1(CCCN)CCCC1CCCN.
What is the InChIKey of 1,2-bis(3-aminopropyl)-N-methylcyclopentan-1-amine?
The InChIKey is WWACPEPXQPBYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-15-12(8-4-10-14)7-2-5-11(12)6-3-9-13/h11,15H,2-10,13-14H2,1H3.
What are the key properties of 1,2-bis(3-aminopropyl)-N-methylcyclopentan-1-amine?
1,2-bis(3-aminopropyl)-N-methylcyclopentan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-aminopropyl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 164897744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).