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

C12H21N — CID 91454120

IUPAC3-methyl-2-methylidene-N-(4-methylpent-2-en-3-yl)butan-1-imine
SMILESC=C(/C=N/C(=CC)C(C)C)C(C)C
InChIInChI=1S/C12H21N/c1-7-12(10(4)5)13-8-11(6)9(2)3/h7-10H,6H2,1-5H3/b12-7?,13-8+
InChIKeyGQBNGZLEKPTELM-ITDQDNMZSA-N
MW179.31 g/mol
LogP3.83
Rot. Bonds4

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

3-methyl-2-methylidene-N-(4-methylpent-2-en-3-yl)butan-1-imine (PubChem CID 91454120) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-methyl-2-methylidene-N-(4-methylpent-2-en-3-yl)butan-1-imine.

Molecular Properties

Compound Name3-methyl-2-methylidene-N-(4-methylpent-2-en-3-yl)butan-1-imine
PubChem CID91454120
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3-methyl-2-methylidene-N-(4-methylpent-2-en-3-yl)butan-1-imine
SMILESC=C(/C=N/C(=CC)C(C)C)C(C)C
InChIInChI=1S/C12H21N/c1-7-12(10(4)5)13-8-11(6)9(2)3/h7-10H,6H2,1-5H3/b12-7?,13-8+
InChIKeyGQBNGZLEKPTELM-ITDQDNMZSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.83
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

(7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine
CID 90882963
(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
2-fluoro-N-[(Z)-4-methylpent-2-en-3-yl]prop-2-en-1-imine
CID 148963729
(3E,5Z)-3-ethenyl-N-[(Z)-1-fluoro-5-methylhept-3-en-3-yl]-6-methyl-2-methylideneocta-3,5-dien-1-imine
CID 169645766
(E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
CID 171493102
(2Z,6Z)-5-but-1-enyl-7-fluoro-2-methyl-4,5-dihydroazocine
CID 173796339
(E)-N-[(E)-2-methyloct-4-en-4-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 176958303
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
4,7-di(propan-2-yl)-3H-azepine
CID 11819584
(Z)-N-[(Z)-but-2-en-2-yl]-2-fluoro-3-methylpent-2-en-1-imine
CID 142120575

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-N-(4-methylpent-2-en-3-yl)butan-1-imine?
The IUPAC name of 3-methyl-2-methylidene-N-(4-methylpent-2-en-3-yl)butan-1-imine (CID 91454120) is 3-methyl-2-methylidene-N-(4-methylpent-2-en-3-yl)butan-1-imine.
What is the SMILES notation for 3-methyl-2-methylidene-N-(4-methylpent-2-en-3-yl)butan-1-imine?
The canonical SMILES for 3-methyl-2-methylidene-N-(4-methylpent-2-en-3-yl)butan-1-imine is C=C(/C=N/C(=CC)C(C)C)C(C)C.
What is the InChIKey of 3-methyl-2-methylidene-N-(4-methylpent-2-en-3-yl)butan-1-imine?
The InChIKey is GQBNGZLEKPTELM-ITDQDNMZSA-N. The full InChI is InChI=1S/C12H21N/c1-7-12(10(4)5)13-8-11(6)9(2)3/h7-10H,6H2,1-5H3/b12-7?,13-8+.
What are the key properties of 3-methyl-2-methylidene-N-(4-methylpent-2-en-3-yl)butan-1-imine?
3-methyl-2-methylidene-N-(4-methylpent-2-en-3-yl)butan-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-N-(4-methylpent-2-en-3-yl)butan-1-imine is sourced from PubChem (CID 91454120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).