N-[(Z)-4-methylpent-2-en-3-yl]methanimine

C7H13N — CID 142889450

IUPACN-[(Z)-4-methylpent-2-en-3-yl]methanimine
SMILESC=N/C(=C\C)C(C)C
InChIInChI=1S/C7H13N/c1-5-7(8-4)6(2)3/h5-6H,4H2,1-3H3/b7-5-
InChIKeyOZJKDSIAHYRZRZ-ALCCZGGFSA-N
MW111.19 g/mol
LogP2.25
Rot. Bonds2

About N-[(Z)-4-methylpent-2-en-3-yl]methanimine

N-[(Z)-4-methylpent-2-en-3-yl]methanimine (PubChem CID 142889450) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-[(Z)-4-methylpent-2-en-3-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-4-methylpent-2-en-3-yl]methanimine
PubChem CID142889450
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-[(Z)-4-methylpent-2-en-3-yl]methanimine
SMILESC=N/C(=C\C)C(C)C
InChIInChI=1S/C7H13N/c1-5-7(8-4)6(2)3/h5-6H,4H2,1-3H3/b7-5-
InChIKeyOZJKDSIAHYRZRZ-ALCCZGGFSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.25
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

N-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimine
CID 154964914
N-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine
CID 171630746
N-[(Z)-1-fluoropent-2-en-2-yl]methanimine
CID 143331293
N-(3-methylbut-1-en-2-yl)methanimine
CID 23558843
N-pent-2-en-2-ylmethanimine
CID 57118992
[(Z)-5-(methanidylideneamino)-2-methylhex-4-en-3-ylidene]tungsten
CID 58930809
[(Z)-4-(methanidylideneamino)pent-3-en-2-ylidene]tungsten
CID 58930958
N-(3-methylbut-1-en-2-yl)methanimine;hydrochloride
CID 87792893
N-[(4Z)-hexa-1,4-dien-2-yl]methanimine
CID 88897198
N-(4-methylpent-2-en-3-yl)methanimine
CID 90880513
N-pent-2-en-3-ylmethanimine
CID 91032118
N-(5,6-dimethylhepta-2,5-dien-2-yl)methanimine
CID 123327570

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-methylpent-2-en-3-yl]methanimine?
The IUPAC name of N-[(Z)-4-methylpent-2-en-3-yl]methanimine (CID 142889450) is N-[(Z)-4-methylpent-2-en-3-yl]methanimine.
What is the SMILES notation for N-[(Z)-4-methylpent-2-en-3-yl]methanimine?
The canonical SMILES for N-[(Z)-4-methylpent-2-en-3-yl]methanimine is C=N/C(=C\C)C(C)C.
What is the InChIKey of N-[(Z)-4-methylpent-2-en-3-yl]methanimine?
The InChIKey is OZJKDSIAHYRZRZ-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H13N/c1-5-7(8-4)6(2)3/h5-6H,4H2,1-3H3/b7-5-.
What are the key properties of N-[(Z)-4-methylpent-2-en-3-yl]methanimine?
N-[(Z)-4-methylpent-2-en-3-yl]methanimine has a molecular weight of 111.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-methylpent-2-en-3-yl]methanimine is sourced from PubChem (CID 142889450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).