N-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine

C10H17N — CID 90998038

IUPACN-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine
SMILESC=C(CC)/N=C/C(=C)C(C)C
InChIInChI=1S/C10H17N/c1-6-10(5)11-7-9(4)8(2)3/h7-8H,4-6H2,1-3H3/b11-7+
InChIKeyCECDLIONFONNAK-YRNVUSSQSA-N
MW151.25 g/mol
LogP3.19
Rot. Bonds4

About N-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine

N-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine (PubChem CID 90998038) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine.

Molecular Properties

Compound NameN-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine
PubChem CID90998038
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine
SMILESC=C(CC)/N=C/C(=C)C(C)C
InChIInChI=1S/C10H17N/c1-6-10(5)11-7-9(4)8(2)3/h7-8H,4-6H2,1-3H3/b11-7+
InChIKeyCECDLIONFONNAK-YRNVUSSQSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

3-methyl-2-methylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-imine
CID 118058943
(Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine
CID 89384623
(Z)-N-but-1-en-2-yl-2-methylbut-2-en-1-imine
CID 89953286
N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine
CID 90884825
(Z)-N-(3-methylbut-2-en-2-yl)-2-propan-2-ylbut-2-en-1-imine
CID 90926049
N-but-1-en-2-yl-2-methylidenepentan-1-imine
CID 90997151
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
3-methyl-2-methylidene-N-(3-methylpent-1-en-2-yl)butan-1-imine
CID 91075817
2-ethyl-4-methyl-6-propan-2-yl-4H-azepine
CID 91195941
2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine
CID 91277402
3-methyl-N-(4-methylhex-1-en-2-yl)-2-methylidenebutan-1-imine
CID 91286246

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine?
The IUPAC name of N-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine (CID 90998038) is N-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine.
What is the SMILES notation for N-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine?
The canonical SMILES for N-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine is C=C(CC)/N=C/C(=C)C(C)C.
What is the InChIKey of N-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine?
The InChIKey is CECDLIONFONNAK-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H17N/c1-6-10(5)11-7-9(4)8(2)3/h7-8H,4-6H2,1-3H3/b11-7+.
What are the key properties of N-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine?
N-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine has a molecular weight of 151.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine is sourced from PubChem (CID 90998038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).