4-[[butan-2-yl(ethyl)amino]methyl]cyclopent-2-en-1-amine

C12H24N2 — CID 79207445

IUPAC4-[[butan-2-yl(ethyl)amino]methyl]cyclopent-2-en-1-amine
SMILESCCC(C)N(CC)CC1C=CC(N)C1
InChIInChI=1S/C12H24N2/c1-4-10(3)14(5-2)9-11-6-7-12(13)8-11/h6-7,10-12H,4-5,8-9,13H2,1-3H3
InChIKeyDPJQAEIDQZFSKY-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.01
Rot. Bonds5

About 4-[[butan-2-yl(ethyl)amino]methyl]cyclopent-2-en-1-amine

4-[[butan-2-yl(ethyl)amino]methyl]cyclopent-2-en-1-amine (PubChem CID 79207445) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-[[butan-2-yl(ethyl)amino]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[butan-2-yl(ethyl)amino]methyl]cyclopent-2-en-1-amine
PubChem CID79207445
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name4-[[butan-2-yl(ethyl)amino]methyl]cyclopent-2-en-1-amine
SMILESCCC(C)N(CC)CC1C=CC(N)C1
InChIInChI=1S/C12H24N2/c1-4-10(3)14(5-2)9-11-6-7-12(13)8-11/h6-7,10-12H,4-5,8-9,13H2,1-3H3
InChIKeyDPJQAEIDQZFSKY-UHFFFAOYSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-[[butan-2-yl(ethyl)amino]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[butan-2-yl(ethyl)amino]methyl]cyclopent-2-en-1-amine (CID 79207445) is 4-[[butan-2-yl(ethyl)amino]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[butan-2-yl(ethyl)amino]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[butan-2-yl(ethyl)amino]methyl]cyclopent-2-en-1-amine is CCC(C)N(CC)CC1C=CC(N)C1.
What is the InChIKey of 4-[[butan-2-yl(ethyl)amino]methyl]cyclopent-2-en-1-amine?
The InChIKey is DPJQAEIDQZFSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-10(3)14(5-2)9-11-6-7-12(13)8-11/h6-7,10-12H,4-5,8-9,13H2,1-3H3.
What are the key properties of 4-[[butan-2-yl(ethyl)amino]methyl]cyclopent-2-en-1-amine?
4-[[butan-2-yl(ethyl)amino]methyl]cyclopent-2-en-1-amine has a molecular weight of 196.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butan-2-yl(ethyl)amino]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79207445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).