2-methyl-N-[(Z)-prop-1-enyl]pentan-3-imine

C9H17N — CID 142329831

IUPAC2-methyl-N-[(Z)-prop-1-enyl]pentan-3-imine
SMILESC/C=C\N=C(/CC)C(C)C
InChIInChI=1S/C9H17N/c1-5-7-10-9(6-2)8(3)4/h5,7-8H,6H2,1-4H3/b7-5-,10-9+
InChIKeyXWLASXQKLGPMEF-ROBNAOGRSA-N
MW139.24 g/mol
LogP3.03
Rot. Bonds3

About 2-methyl-N-[(Z)-prop-1-enyl]pentan-3-imine

2-methyl-N-[(Z)-prop-1-enyl]pentan-3-imine (PubChem CID 142329831) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-prop-1-enyl]pentan-3-imine.

Molecular Properties

Compound Name2-methyl-N-[(Z)-prop-1-enyl]pentan-3-imine
PubChem CID142329831
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-methyl-N-[(Z)-prop-1-enyl]pentan-3-imine
SMILESC/C=C\N=C(/CC)C(C)C
InChIInChI=1S/C9H17N/c1-5-7-10-9(6-2)8(3)4/h5,7-8H,6H2,1-4H3/b7-5-,10-9+
InChIKeyXWLASXQKLGPMEF-ROBNAOGRSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-prop-1-enyl]pentan-3-imine?
The IUPAC name of 2-methyl-N-[(Z)-prop-1-enyl]pentan-3-imine (CID 142329831) is 2-methyl-N-[(Z)-prop-1-enyl]pentan-3-imine.
What is the SMILES notation for 2-methyl-N-[(Z)-prop-1-enyl]pentan-3-imine?
The canonical SMILES for 2-methyl-N-[(Z)-prop-1-enyl]pentan-3-imine is C/C=C\N=C(/CC)C(C)C.
What is the InChIKey of 2-methyl-N-[(Z)-prop-1-enyl]pentan-3-imine?
The InChIKey is XWLASXQKLGPMEF-ROBNAOGRSA-N. The full InChI is InChI=1S/C9H17N/c1-5-7-10-9(6-2)8(3)4/h5,7-8H,6H2,1-4H3/b7-5-,10-9+.
What are the key properties of 2-methyl-N-[(Z)-prop-1-enyl]pentan-3-imine?
2-methyl-N-[(Z)-prop-1-enyl]pentan-3-imine has a molecular weight of 139.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-prop-1-enyl]pentan-3-imine is sourced from PubChem (CID 142329831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).