4-[(dipropylamino)methyl]cyclopent-2-en-1-amine

C12H24N2 — CID 79207072

IUPAC4-[(dipropylamino)methyl]cyclopent-2-en-1-amine
SMILESCCCN(CCC)CC1C=CC(N)C1
InChIInChI=1S/C12H24N2/c1-3-7-14(8-4-2)10-11-5-6-12(13)9-11/h5-6,11-12H,3-4,7-10,13H2,1-2H3
InChIKeyUMUMEFMWFWALOL-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.01
Rot. Bonds6

About 4-[(dipropylamino)methyl]cyclopent-2-en-1-amine

4-[(dipropylamino)methyl]cyclopent-2-en-1-amine (PubChem CID 79207072) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-[(dipropylamino)methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[(dipropylamino)methyl]cyclopent-2-en-1-amine
PubChem CID79207072
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name4-[(dipropylamino)methyl]cyclopent-2-en-1-amine
SMILESCCCN(CCC)CC1C=CC(N)C1
InChIInChI=1S/C12H24N2/c1-3-7-14(8-4-2)10-11-5-6-12(13)9-11/h5-6,11-12H,3-4,7-10,13H2,1-2H3
InChIKeyUMUMEFMWFWALOL-UHFFFAOYSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(dipropylamino)methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[(dipropylamino)methyl]cyclopent-2-en-1-amine (CID 79207072) is 4-[(dipropylamino)methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[(dipropylamino)methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[(dipropylamino)methyl]cyclopent-2-en-1-amine is CCCN(CCC)CC1C=CC(N)C1.
What is the InChIKey of 4-[(dipropylamino)methyl]cyclopent-2-en-1-amine?
The InChIKey is UMUMEFMWFWALOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-7-14(8-4-2)10-11-5-6-12(13)9-11/h5-6,11-12H,3-4,7-10,13H2,1-2H3.
What are the key properties of 4-[(dipropylamino)methyl]cyclopent-2-en-1-amine?
4-[(dipropylamino)methyl]cyclopent-2-en-1-amine has a molecular weight of 196.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dipropylamino)methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79207072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).