N-butylcyclopenta-1,3-dien-1-amine

C9H15N — CID 15861820

IUPACN-butylcyclopenta-1,3-dien-1-amine
SMILESCCCCNC1=CC=CC1
InChIInChI=1S/C9H15N/c1-2-3-8-10-9-6-4-5-7-9/h4-6,10H,2-3,7-8H2,1H3
InChIKeyORXZLQGKWKRKQA-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.22
Rot. Bonds4

About N-butylcyclopenta-1,3-dien-1-amine

N-butylcyclopenta-1,3-dien-1-amine (PubChem CID 15861820) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-butylcyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound NameN-butylcyclopenta-1,3-dien-1-amine
PubChem CID15861820
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-butylcyclopenta-1,3-dien-1-amine
SMILESCCCCNC1=CC=CC1
InChIInChI=1S/C9H15N/c1-2-3-8-10-9-6-4-5-7-9/h4-6,10H,2-3,7-8H2,1H3
InChIKeyORXZLQGKWKRKQA-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butylcyclopenta-1,3-dien-1-amine?
The IUPAC name of N-butylcyclopenta-1,3-dien-1-amine (CID 15861820) is N-butylcyclopenta-1,3-dien-1-amine.
What is the SMILES notation for N-butylcyclopenta-1,3-dien-1-amine?
The canonical SMILES for N-butylcyclopenta-1,3-dien-1-amine is CCCCNC1=CC=CC1.
What is the InChIKey of N-butylcyclopenta-1,3-dien-1-amine?
The InChIKey is ORXZLQGKWKRKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-8-10-9-6-4-5-7-9/h4-6,10H,2-3,7-8H2,1H3.
What are the key properties of N-butylcyclopenta-1,3-dien-1-amine?
N-butylcyclopenta-1,3-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylcyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 15861820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).