2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine

C10H17N — CID 91277402

IUPAC2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine
SMILESC=C(C)/C=N/C(=CC)C(C)C
InChIInChI=1S/C10H17N/c1-6-10(9(4)5)11-7-8(2)3/h6-7,9H,2H2,1,3-5H3/b10-6?,11-7+
InChIKeyBWCSMKYTDHMXQF-DPWZYIFFSA-N
MW151.25 g/mol
LogP3.19
Rot. Bonds3

About 2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine

2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine (PubChem CID 91277402) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine
PubChem CID91277402
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine
SMILESC=C(C)/C=N/C(=CC)C(C)C
InChIInChI=1S/C10H17N/c1-6-10(9(4)5)11-7-8(2)3/h6-7,9H,2H2,1,3-5H3/b10-6?,11-7+
InChIKeyBWCSMKYTDHMXQF-DPWZYIFFSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.19
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

(Z)-2-ethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-en-1-imine
CID 89210806
N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 123975815
(Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine
CID 134374866
(Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine
CID 139297390
(E)-2-fluoro-4-methyl-N-prop-1-en-2-ylhex-2-en-1-imine
CID 139317360
N-[(Z)-pent-2-en-3-yl]-2-(trifluoromethyl)prop-2-en-1-imine
CID 142010061
2-fluoro-N-[(Z)-4-methylpent-2-en-3-yl]prop-2-en-1-imine
CID 148963729
(E)-N-(3-methylpent-2-en-2-yl)-2-(trifluoromethyl)but-2-en-1-imine
CID 153358122
(E)-N-[(E)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 168972609
(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 171492718
(E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
CID 171493102
(E)-N-[(Z)-but-2-en-2-yl]-2-(1,1-difluoroethyl)but-2-en-1-imine
CID 171493156

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine?
The IUPAC name of 2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine (CID 91277402) is 2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine.
What is the SMILES notation for 2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine?
The canonical SMILES for 2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine is C=C(C)/C=N/C(=CC)C(C)C.
What is the InChIKey of 2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine?
The InChIKey is BWCSMKYTDHMXQF-DPWZYIFFSA-N. The full InChI is InChI=1S/C10H17N/c1-6-10(9(4)5)11-7-8(2)3/h6-7,9H,2H2,1,3-5H3/b10-6?,11-7+.
What are the key properties of 2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine?
2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine has a molecular weight of 151.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine is sourced from PubChem (CID 91277402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).