1,3-dicyclopentylpropan-2-amine

C13H25N — CID 58122660

IUPAC1,3-dicyclopentylpropan-2-amine
SMILESNC(CC1CCCC1)CC1CCCC1
InChIInChI=1S/C13H25N/c14-13(9-11-5-1-2-6-11)10-12-7-3-4-8-12/h11-13H,1-10,14H2
InChIKeyFZQMMVLZVFNSGS-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.47
Rot. Bonds4

About 1,3-dicyclopentylpropan-2-amine

1,3-dicyclopentylpropan-2-amine (PubChem CID 58122660) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1,3-dicyclopentylpropan-2-amine.

Molecular Properties

Compound Name1,3-dicyclopentylpropan-2-amine
PubChem CID58122660
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1,3-dicyclopentylpropan-2-amine
SMILESNC(CC1CCCC1)CC1CCCC1
InChIInChI=1S/C13H25N/c14-13(9-11-5-1-2-6-11)10-12-7-3-4-8-12/h11-13H,1-10,14H2
InChIKeyFZQMMVLZVFNSGS-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclopentylpropan-2-amine?
The IUPAC name of 1,3-dicyclopentylpropan-2-amine (CID 58122660) is 1,3-dicyclopentylpropan-2-amine.
What is the SMILES notation for 1,3-dicyclopentylpropan-2-amine?
The canonical SMILES for 1,3-dicyclopentylpropan-2-amine is NC(CC1CCCC1)CC1CCCC1.
What is the InChIKey of 1,3-dicyclopentylpropan-2-amine?
The InChIKey is FZQMMVLZVFNSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c14-13(9-11-5-1-2-6-11)10-12-7-3-4-8-12/h11-13H,1-10,14H2.
What are the key properties of 1,3-dicyclopentylpropan-2-amine?
1,3-dicyclopentylpropan-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclopentylpropan-2-amine is sourced from PubChem (CID 58122660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).