N-[(Z)-4-methyl-3-prop-2-enylhex-4-en-2-yl]methanimine

C11H19N — CID 142059017

IUPACN-[(Z)-4-methyl-3-prop-2-enylhex-4-en-2-yl]methanimine
SMILESC=CCC(/C(C)=C\C)C(C)N=C
InChIInChI=1S/C11H19N/c1-6-8-11(9(3)7-2)10(4)12-5/h6-7,10-11H,1,5,8H2,2-4H3/b9-7-
InChIKeyZDAUDPFPUJDOCP-CLFYSBASSA-N
MW165.28 g/mol
LogP3.23
Rot. Bonds5

About N-[(Z)-4-methyl-3-prop-2-enylhex-4-en-2-yl]methanimine

N-[(Z)-4-methyl-3-prop-2-enylhex-4-en-2-yl]methanimine (PubChem CID 142059017) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(Z)-4-methyl-3-prop-2-enylhex-4-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-4-methyl-3-prop-2-enylhex-4-en-2-yl]methanimine
PubChem CID142059017
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(Z)-4-methyl-3-prop-2-enylhex-4-en-2-yl]methanimine
SMILESC=CCC(/C(C)=C\C)C(C)N=C
InChIInChI=1S/C11H19N/c1-6-8-11(9(3)7-2)10(4)12-5/h6-7,10-11H,1,5,8H2,2-4H3/b9-7-
InChIKeyZDAUDPFPUJDOCP-CLFYSBASSA-N
XLogP3.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4R,5Z)-5-methyl-4-propan-2-ylhepta-1,5-diene
CID 59911407
N-pent-4-en-2-ylmethanimine
CID 123777591
(5Z)-5-methylhepta-1,5-dien-4-amine
CID 143795621
N-(2,3-dimethylpenta-1,4-dienyl)ethanimine
CID 123735298
2-(1-hydroxyethyl)pent-4-enoic acid
CID 18940262
(4E,7E)-5,6,7-trimethylnona-1,4,7-triene
CID 20695263
2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene
CID 162498864
azane;pent-4-en-2-ol
CID 22149561
(4E,7E)-4,6,7-trimethylnona-1,4,7-triene
CID 20695244
(2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid
CID 10866451
(7E)-4,7,10-trimethyl-5-(3-methylbut-2-enyl)-6-prop-2-enylundeca-1,7,9-triene
CID 140594180
(3R,4S)-2,3,4-trimethylhepta-1,6-diene
CID 144847395

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-methyl-3-prop-2-enylhex-4-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-4-methyl-3-prop-2-enylhex-4-en-2-yl]methanimine (CID 142059017) is N-[(Z)-4-methyl-3-prop-2-enylhex-4-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-4-methyl-3-prop-2-enylhex-4-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-4-methyl-3-prop-2-enylhex-4-en-2-yl]methanimine is C=CCC(/C(C)=C\C)C(C)N=C.
What is the InChIKey of N-[(Z)-4-methyl-3-prop-2-enylhex-4-en-2-yl]methanimine?
The InChIKey is ZDAUDPFPUJDOCP-CLFYSBASSA-N. The full InChI is InChI=1S/C11H19N/c1-6-8-11(9(3)7-2)10(4)12-5/h6-7,10-11H,1,5,8H2,2-4H3/b9-7-.
What are the key properties of N-[(Z)-4-methyl-3-prop-2-enylhex-4-en-2-yl]methanimine?
N-[(Z)-4-methyl-3-prop-2-enylhex-4-en-2-yl]methanimine has a molecular weight of 165.28 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-methyl-3-prop-2-enylhex-4-en-2-yl]methanimine is sourced from PubChem (CID 142059017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).