3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine

C10H19N — CID 174243879

IUPAC3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine
SMILESCC(C)=C/N=C(\C)C(C)(C)C
InChIInChI=1S/C10H19N/c1-8(2)7-11-9(3)10(4,5)6/h7H,1-6H3/b11-9+
InChIKeyAAYLPHMBGBWZGN-PKNBQFBNSA-N
MW153.27 g/mol
LogP3.42
Rot. Bonds1

About 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine

3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine (PubChem CID 174243879) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine
PubChem CID174243879
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine
SMILESCC(C)=C/N=C(\C)C(C)(C)C
InChIInChI=1S/C10H19N/c1-8(2)7-11-9(3)10(4,5)6/h7H,1-6H3/b11-9+
InChIKeyAAYLPHMBGBWZGN-PKNBQFBNSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.42
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

N-(3,3-dimethylbutan-2-ylidene)-N'-methylmethanimidamide
CID 142063019
N-[(Z)-3,3-dimethylbut-1-enyl]-3,3-dimethylbutan-2-imine
CID 59179945
N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide;propane
CID 144648638
1,2,3-tris(2-methylprop-1-enyl)guanidine
CID 58030695
N-(3,3-dimethylbutan-2-ylideneamino)methanamine
CID 86118020
ethane;prop-1-ene;2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
CID 145136554
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-methylpropan-2-amine
CID 18594020
2-hydroxy-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
CID 146550071
N-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine
CID 134253328
1,1,1-trifluoro-N-[(Z)-2-methylbut-1-enyl]propan-2-imine
CID 143508841
(E)-3,3-dimethyl-N-propoxybutan-2-imine
CID 88538853
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-N-methylpropan-2-amine
CID 126709395

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine?
The IUPAC name of 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine (CID 174243879) is 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine.
What is the SMILES notation for 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine?
The canonical SMILES for 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine is CC(C)=C/N=C(\C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine?
The InChIKey is AAYLPHMBGBWZGN-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)7-11-9(3)10(4,5)6/h7H,1-6H3/b11-9+.
What are the key properties of 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine?
3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine has a molecular weight of 153.27 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine is sourced from PubChem (CID 174243879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).