N-but-3-en-2-yl-2-methylpropan-1-amine

C8H17N — CID 115876759

IUPACN-but-3-en-2-yl-2-methylpropan-1-amine
SMILESC=CC(C)NCC(C)C
InChIInChI=1S/C8H17N/c1-5-8(4)9-6-7(2)3/h5,7-9H,1,6H2,2-4H3
InChIKeyGYQHYBCGPRCLBT-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.81
Rot. Bonds4

About N-but-3-en-2-yl-2-methylpropan-1-amine

N-but-3-en-2-yl-2-methylpropan-1-amine (PubChem CID 115876759) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-methylpropan-1-amine
PubChem CID115876759
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-but-3-en-2-yl-2-methylpropan-1-amine
SMILESC=CC(C)NCC(C)C
InChIInChI=1S/C8H17N/c1-5-8(4)9-6-7(2)3/h5,7-9H,1,6H2,2-4H3
InChIKeyGYQHYBCGPRCLBT-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-but-3-en-2-yl-2-methylpropan-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-but-3-en-2-yl-2-methylpropan-1-amine?
The IUPAC name of N-but-3-en-2-yl-2-methylpropan-1-amine (CID 115876759) is N-but-3-en-2-yl-2-methylpropan-1-amine.
What is the SMILES notation for N-but-3-en-2-yl-2-methylpropan-1-amine?
The canonical SMILES for N-but-3-en-2-yl-2-methylpropan-1-amine is C=CC(C)NCC(C)C.
What is the InChIKey of N-but-3-en-2-yl-2-methylpropan-1-amine?
The InChIKey is GYQHYBCGPRCLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-5-8(4)9-6-7(2)3/h5,7-9H,1,6H2,2-4H3.
What are the key properties of N-but-3-en-2-yl-2-methylpropan-1-amine?
N-but-3-en-2-yl-2-methylpropan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2-methylpropan-1-amine is sourced from PubChem (CID 115876759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).