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

C12H21N — CID 91075817

IUPAC3-methyl-2-methylidene-N-(3-methylpent-1-en-2-yl)butan-1-imine
SMILESC=C(/C=N/C(=C)C(C)CC)C(C)C
InChIInChI=1S/C12H21N/c1-7-10(4)12(6)13-8-11(5)9(2)3/h8-10H,5-7H2,1-4H3/b13-8+
InChIKeyNPDSEQHDUHEAKZ-MDWZMJQESA-N
MW179.31 g/mol
LogP3.83
Rot. Bonds5

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

3-methyl-2-methylidene-N-(3-methylpent-1-en-2-yl)butan-1-imine (PubChem CID 91075817) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-methyl-2-methylidene-N-(3-methylpent-1-en-2-yl)butan-1-imine.

Molecular Properties

Compound Name3-methyl-2-methylidene-N-(3-methylpent-1-en-2-yl)butan-1-imine
PubChem CID91075817
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3-methyl-2-methylidene-N-(3-methylpent-1-en-2-yl)butan-1-imine
SMILESC=C(/C=N/C(=C)C(C)CC)C(C)C
InChIInChI=1S/C12H21N/c1-7-10(4)12(6)13-8-11(5)9(2)3/h8-10H,5-7H2,1-4H3/b13-8+
InChIKeyNPDSEQHDUHEAKZ-MDWZMJQESA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

2-fluoro-N-(4-methylpent-1-en-2-yl)prop-2-en-1-imine
CID 177148678
N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine
CID 90884825
N-but-1-en-2-yl-2-methylidenepentan-1-imine
CID 90997151
N-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine
CID 90998038
2-methylidene-N-prop-1-en-2-ylbutan-1-imine
CID 91031927
N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine
CID 91047286
N-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine
CID 91088958
3-methyl-N-(4-methylhex-1-en-2-yl)-2-methylidenebutan-1-imine
CID 91286246
N-(3-methylbut-1-en-2-yl)-2-methylidenepentan-1-imine
CID 91297021
2-methylidene-N-pent-1-en-2-ylbutan-1-imine
CID 91303022
3-methyl-2-methylidene-N-(4-methylpent-2-en-3-yl)butan-1-imine
CID 91454120
3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine
CID 91513493

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-N-(3-methylpent-1-en-2-yl)butan-1-imine?
The IUPAC name of 3-methyl-2-methylidene-N-(3-methylpent-1-en-2-yl)butan-1-imine (CID 91075817) is 3-methyl-2-methylidene-N-(3-methylpent-1-en-2-yl)butan-1-imine.
What is the SMILES notation for 3-methyl-2-methylidene-N-(3-methylpent-1-en-2-yl)butan-1-imine?
The canonical SMILES for 3-methyl-2-methylidene-N-(3-methylpent-1-en-2-yl)butan-1-imine is C=C(/C=N/C(=C)C(C)CC)C(C)C.
What is the InChIKey of 3-methyl-2-methylidene-N-(3-methylpent-1-en-2-yl)butan-1-imine?
The InChIKey is NPDSEQHDUHEAKZ-MDWZMJQESA-N. The full InChI is InChI=1S/C12H21N/c1-7-10(4)12(6)13-8-11(5)9(2)3/h8-10H,5-7H2,1-4H3/b13-8+.
What are the key properties of 3-methyl-2-methylidene-N-(3-methylpent-1-en-2-yl)butan-1-imine?
3-methyl-2-methylidene-N-(3-methylpent-1-en-2-yl)butan-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.83, 5 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-(3-methylpent-1-en-2-yl)butan-1-imine is sourced from PubChem (CID 91075817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).