3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine

C8H15N — CID 142828314

IUPAC3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine
SMILESC/C=C\NCC=C(C)C
InChIInChI=1S/C8H15N/c1-4-6-9-7-5-8(2)3/h4-6,9H,7H2,1-3H3/b6-4-
InChIKeyAUFLDPUZGPBTSD-XQRVVYSFSA-N
MW125.21 g/mol
LogP2.08
Rot. Bonds3

About 3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine

3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine (PubChem CID 142828314) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine
PubChem CID142828314
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine
SMILESC/C=C\NCC=C(C)C
InChIInChI=1S/C8H15N/c1-4-6-9-7-5-8(2)3/h4-6,9H,7H2,1-3H3/b6-4-
InChIKeyAUFLDPUZGPBTSD-XQRVVYSFSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine?
The IUPAC name of 3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine (CID 142828314) is 3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine is C/C=C\NCC=C(C)C.
What is the InChIKey of 3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine?
The InChIKey is AUFLDPUZGPBTSD-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H15N/c1-4-6-9-7-5-8(2)3/h4-6,9H,7H2,1-3H3/b6-4-.
What are the key properties of 3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine?
3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine has a molecular weight of 125.21 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine is sourced from PubChem (CID 142828314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).