N-[(E)-prop-1-enyl]butan-2-amine

C7H15N — CID 12599840

IUPACN-[(E)-prop-1-enyl]butan-2-amine
SMILESC/C=C/NC(C)CC
InChIInChI=1S/C7H15N/c1-4-6-8-7(3)5-2/h4,6-8H,5H2,1-3H3/b6-4+
InChIKeyAVIDFEFFFRFTBB-GQCTYLIASA-N
MW113.20 g/mol
LogP1.91
Rot. Bonds3

About N-[(E)-prop-1-enyl]butan-2-amine

N-[(E)-prop-1-enyl]butan-2-amine (PubChem CID 12599840) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is N-[(E)-prop-1-enyl]butan-2-amine.

Molecular Properties

Compound NameN-[(E)-prop-1-enyl]butan-2-amine
PubChem CID12599840
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC NameN-[(E)-prop-1-enyl]butan-2-amine
SMILESC/C=C/NC(C)CC
InChIInChI=1S/C7H15N/c1-4-6-8-7(3)5-2/h4,6-8H,5H2,1-3H3/b6-4+
InChIKeyAVIDFEFFFRFTBB-GQCTYLIASA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(E)-prop-1-enyl]butan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl propylenamine
CID 11446289
Methyl propylene amine
CID 12676328
5-Methylpyrroline
CID 14620016
Allyl vinyl amine
CID 20794241
N-isopropyl-N-vinylamine
CID 23105259
Ethyl(1-propenyl)amine
CID 53718914
Di(1-propenyl)amine
CID 54562818
n-Propyl 1-propenylamine
CID 73861099
N-propenylprop-2-en-1-amine
CID 129748605
(1E)-N-propan-2-ylbuta-1,3-dien-1-amine
CID 11029785
2-methyl-N-[(E)-prop-1-enyl]propan-1-amine
CID 12345757
(E)-N-propan-2-ylprop-1-en-1-amine
CID 12345758

Frequently Asked Questions

What is the IUPAC name of N-[(E)-prop-1-enyl]butan-2-amine?
The IUPAC name of N-[(E)-prop-1-enyl]butan-2-amine (CID 12599840) is N-[(E)-prop-1-enyl]butan-2-amine.
What is the SMILES notation for N-[(E)-prop-1-enyl]butan-2-amine?
The canonical SMILES for N-[(E)-prop-1-enyl]butan-2-amine is C/C=C/NC(C)CC.
What is the InChIKey of N-[(E)-prop-1-enyl]butan-2-amine?
The InChIKey is AVIDFEFFFRFTBB-GQCTYLIASA-N. The full InChI is InChI=1S/C7H15N/c1-4-6-8-7(3)5-2/h4,6-8H,5H2,1-3H3/b6-4+.
What are the key properties of N-[(E)-prop-1-enyl]butan-2-amine?
N-[(E)-prop-1-enyl]butan-2-amine has a molecular weight of 113.20 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-prop-1-enyl]butan-2-amine is sourced from PubChem (CID 12599840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).