N-(3-methylpent-1-en-2-yl)prop-2-en-1-imine

C9H15N — CID 145099755

IUPACN-(3-methylpent-1-en-2-yl)prop-2-en-1-imine
SMILESC=C/C=N/C(=C)C(C)CC
InChIInChI=1S/C9H15N/c1-5-7-10-9(4)8(3)6-2/h5,7-8H,1,4,6H2,2-3H3/b10-7+
InChIKeyUAUUCPBMOKJKLA-JXMROGBWSA-N
MW137.23 g/mol
LogP2.80
Rot. Bonds4

About N-(3-methylpent-1-en-2-yl)prop-2-en-1-imine

N-(3-methylpent-1-en-2-yl)prop-2-en-1-imine (PubChem CID 145099755) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-(3-methylpent-1-en-2-yl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(3-methylpent-1-en-2-yl)prop-2-en-1-imine
PubChem CID145099755
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-(3-methylpent-1-en-2-yl)prop-2-en-1-imine
SMILESC=C/C=N/C(=C)C(C)CC
InChIInChI=1S/C9H15N/c1-5-7-10-9(4)8(3)6-2/h5,7-8H,1,4,6H2,2-3H3/b10-7+
InChIKeyUAUUCPBMOKJKLA-JXMROGBWSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(4-methylpent-1-en-2-yl)prop-2-en-1-imine
CID 177148678
(Z)-N-but-1-en-2-ylbut-2-en-1-imine
CID 89097771
N-[(1Z)-3-methylpenta-1,4-dienyl]prop-2-en-1-imine
CID 89138641
N-[(Z)-3-methylpent-1-enyl]ethanimine
CID 89195550
N-(3-methylpent-4-en-2-yl)ethanimine
CID 89603941
(7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine
CID 90153623
(2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine
CID 90737213
N-(3-methylbut-1-en-2-yl)prop-2-en-1-imine
CID 90785604
N-(3-methylpent-1-enyl)ethanimine
CID 90890469
3-methyl-2-methylidene-N-(3-methylpent-1-en-2-yl)butan-1-imine
CID 91075817
N-but-1-en-2-ylprop-2-en-1-imine
CID 91607922
(E)-N-but-1-en-2-ylbut-2-en-1-imine
CID 123147559

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpent-1-en-2-yl)prop-2-en-1-imine?
The IUPAC name of N-(3-methylpent-1-en-2-yl)prop-2-en-1-imine (CID 145099755) is N-(3-methylpent-1-en-2-yl)prop-2-en-1-imine.
What is the SMILES notation for N-(3-methylpent-1-en-2-yl)prop-2-en-1-imine?
The canonical SMILES for N-(3-methylpent-1-en-2-yl)prop-2-en-1-imine is C=C/C=N/C(=C)C(C)CC.
What is the InChIKey of N-(3-methylpent-1-en-2-yl)prop-2-en-1-imine?
The InChIKey is UAUUCPBMOKJKLA-JXMROGBWSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7-10-9(4)8(3)6-2/h5,7-8H,1,4,6H2,2-3H3/b10-7+.
What are the key properties of N-(3-methylpent-1-en-2-yl)prop-2-en-1-imine?
N-(3-methylpent-1-en-2-yl)prop-2-en-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpent-1-en-2-yl)prop-2-en-1-imine is sourced from PubChem (CID 145099755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).