N-butan-2-ylcyclopent-3-en-1-amine

C9H17N — CID 115728477

IUPACN-butan-2-ylcyclopent-3-en-1-amine
SMILESCCC(C)NC1CC=CC1
InChIInChI=1S/C9H17N/c1-3-8(2)10-9-6-4-5-7-9/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyPLHCZMYPGZSWBR-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.09
Rot. Bonds3

About N-butan-2-ylcyclopent-3-en-1-amine

N-butan-2-ylcyclopent-3-en-1-amine (PubChem CID 115728477) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-butan-2-ylcyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-butan-2-ylcyclopent-3-en-1-amine
PubChem CID115728477
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-butan-2-ylcyclopent-3-en-1-amine
SMILESCCC(C)NC1CC=CC1
InChIInChI=1S/C9H17N/c1-3-8(2)10-9-6-4-5-7-9/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyPLHCZMYPGZSWBR-UHFFFAOYSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-butan-2-ylcyclopent-3-en-1-amine?
The IUPAC name of N-butan-2-ylcyclopent-3-en-1-amine (CID 115728477) is N-butan-2-ylcyclopent-3-en-1-amine.
What is the SMILES notation for N-butan-2-ylcyclopent-3-en-1-amine?
The canonical SMILES for N-butan-2-ylcyclopent-3-en-1-amine is CCC(C)NC1CC=CC1.
What is the InChIKey of N-butan-2-ylcyclopent-3-en-1-amine?
The InChIKey is PLHCZMYPGZSWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-8(2)10-9-6-4-5-7-9/h4-5,8-10H,3,6-7H2,1-2H3.
What are the key properties of N-butan-2-ylcyclopent-3-en-1-amine?
N-butan-2-ylcyclopent-3-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylcyclopent-3-en-1-amine is sourced from PubChem (CID 115728477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).