N-[(Z)-but-2-enyl]-2-methylbutan-1-amine

C9H19N — CID 146803424

IUPACN-[(Z)-but-2-enyl]-2-methylbutan-1-amine
SMILESC/C=C\CNCC(C)CC
InChIInChI=1S/C9H19N/c1-4-6-7-10-8-9(3)5-2/h4,6,9-10H,5,7-8H2,1-3H3/b6-4-
InChIKeyRYJIOVBPKKTYII-XQRVVYSFSA-N
MW141.26 g/mol
LogP2.20
Rot. Bonds5

About N-[(Z)-but-2-enyl]-2-methylbutan-1-amine

N-[(Z)-but-2-enyl]-2-methylbutan-1-amine (PubChem CID 146803424) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-[(Z)-but-2-enyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(Z)-but-2-enyl]-2-methylbutan-1-amine
PubChem CID146803424
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-[(Z)-but-2-enyl]-2-methylbutan-1-amine
SMILESC/C=C\CNCC(C)CC
InChIInChI=1S/C9H19N/c1-4-6-7-10-8-9(3)5-2/h4,6,9-10H,5,7-8H2,1-3H3/b6-4-
InChIKeyRYJIOVBPKKTYII-XQRVVYSFSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.20
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 N-[(Z)-but-2-enyl]-2-methylbutan-1-amine?
The IUPAC name of N-[(Z)-but-2-enyl]-2-methylbutan-1-amine (CID 146803424) is N-[(Z)-but-2-enyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[(Z)-but-2-enyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[(Z)-but-2-enyl]-2-methylbutan-1-amine is C/C=C\CNCC(C)CC.
What is the InChIKey of N-[(Z)-but-2-enyl]-2-methylbutan-1-amine?
The InChIKey is RYJIOVBPKKTYII-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H19N/c1-4-6-7-10-8-9(3)5-2/h4,6,9-10H,5,7-8H2,1-3H3/b6-4-.
What are the key properties of N-[(Z)-but-2-enyl]-2-methylbutan-1-amine?
N-[(Z)-but-2-enyl]-2-methylbutan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-enyl]-2-methylbutan-1-amine is sourced from PubChem (CID 146803424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).