N-butyl-3-butyliminoinden-1-amine

C17H24N2 — CID 3269589

IUPACN-butyl-3-butyliminoinden-1-amine
SMILESCCCC/N=C1\C=C(NCCCC)c2ccccc21
InChIInChI=1S/C17H24N2/c1-3-5-11-18-16-13-17(19-12-6-4-2)15-10-8-7-9-14(15)16/h7-10,13,18H,3-6,11-12H2,1-2H3/b19-17+
InChIKeyCABIGGVIZZWFSL-HTXNQAPBSA-N
MW256.39 g/mol
LogP4.02
Rot. Bonds7

About N-butyl-3-butyliminoinden-1-amine

N-butyl-3-butyliminoinden-1-amine (PubChem CID 3269589) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-butyl-3-butyliminoinden-1-amine.

Molecular Properties

Compound NameN-butyl-3-butyliminoinden-1-amine
PubChem CID3269589
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-butyl-3-butyliminoinden-1-amine
SMILESCCCC/N=C1\C=C(NCCCC)c2ccccc21
InChIInChI=1S/C17H24N2/c1-3-5-11-18-16-13-17(19-12-6-4-2)15-10-8-7-9-14(15)16/h7-10,13,18H,3-6,11-12H2,1-2H3/b19-17+
InChIKeyCABIGGVIZZWFSL-HTXNQAPBSA-N
XLogP4.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-butyl-3-butyliminoinden-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-butyliminoinden-1-amine?
The IUPAC name of N-butyl-3-butyliminoinden-1-amine (CID 3269589) is N-butyl-3-butyliminoinden-1-amine.
What is the SMILES notation for N-butyl-3-butyliminoinden-1-amine?
The canonical SMILES for N-butyl-3-butyliminoinden-1-amine is CCCC/N=C1\C=C(NCCCC)c2ccccc21.
What is the InChIKey of N-butyl-3-butyliminoinden-1-amine?
The InChIKey is CABIGGVIZZWFSL-HTXNQAPBSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-5-11-18-16-13-17(19-12-6-4-2)15-10-8-7-9-14(15)16/h7-10,13,18H,3-6,11-12H2,1-2H3/b19-17+.
What are the key properties of N-butyl-3-butyliminoinden-1-amine?
N-butyl-3-butyliminoinden-1-amine has a molecular weight of 256.39 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-butyliminoinden-1-amine is sourced from PubChem (CID 3269589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).