N-ethenyl-2-methylpropan-1-amine

C6H13N — CID 23400431

IUPACN-ethenyl-2-methylpropan-1-amine
SMILESC=CNCC(C)C
InChIInChI=1S/C6H13N/c1-4-7-5-6(2)3/h4,6-7H,1,5H2,2-3H3
InChIKeyXLMRRLLWLSMZLN-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.38
Rot. Bonds3

About N-ethenyl-2-methylpropan-1-amine

N-ethenyl-2-methylpropan-1-amine (PubChem CID 23400431) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is N-ethenyl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethenyl-2-methylpropan-1-amine
PubChem CID23400431
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC NameN-ethenyl-2-methylpropan-1-amine
SMILESC=CNCC(C)C
InChIInChI=1S/C6H13N/c1-4-7-5-6(2)3/h4,6-7H,1,5H2,2-3H3
InChIKeyXLMRRLLWLSMZLN-UHFFFAOYSA-N
XLogP1.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethenyl-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-ethenyl-2-methylpropan-1-amine?
The IUPAC name of N-ethenyl-2-methylpropan-1-amine (CID 23400431) is N-ethenyl-2-methylpropan-1-amine.
What is the SMILES notation for N-ethenyl-2-methylpropan-1-amine?
The canonical SMILES for N-ethenyl-2-methylpropan-1-amine is C=CNCC(C)C.
What is the InChIKey of N-ethenyl-2-methylpropan-1-amine?
The InChIKey is XLMRRLLWLSMZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-4-7-5-6(2)3/h4,6-7H,1,5H2,2-3H3.
What are the key properties of N-ethenyl-2-methylpropan-1-amine?
N-ethenyl-2-methylpropan-1-amine has a molecular weight of 99.18 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methylpropan-1-amine is sourced from PubChem (CID 23400431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).