N-butylcyclohexa-1,3-dien-1-amine

C10H17N — CID 144722191

IUPACN-butylcyclohexa-1,3-dien-1-amine
SMILESCCCCNC1=CC=CCC1
InChIInChI=1S/C10H17N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyZILJMMISJYVMSC-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.61
Rot. Bonds4

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

N-butylcyclohexa-1,3-dien-1-amine (PubChem CID 144722191) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-butylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-butylcyclohexa-1,3-dien-1-amine
PubChem CID144722191
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-butylcyclohexa-1,3-dien-1-amine
SMILESCCCCNC1=CC=CCC1
InChIInChI=1S/C10H17N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyZILJMMISJYVMSC-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.61
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-butylcyclohexa-1,3-dien-1-amine?
The IUPAC name of N-butylcyclohexa-1,3-dien-1-amine (CID 144722191) is N-butylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-butylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-butylcyclohexa-1,3-dien-1-amine is CCCCNC1=CC=CCC1.
What is the InChIKey of N-butylcyclohexa-1,3-dien-1-amine?
The InChIKey is ZILJMMISJYVMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-5,7,11H,2-3,6,8-9H2,1H3.
What are the key properties of N-butylcyclohexa-1,3-dien-1-amine?
N-butylcyclohexa-1,3-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 144722191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).