N-(2,2-dimethylpropyl)butan-1-imine

C9H19N — CID 59863662

IUPACN-(2,2-dimethylpropyl)butan-1-imine
SMILESCCC/C=N/CC(C)(C)C
InChIInChI=1S/C9H19N/c1-5-6-7-10-8-9(2,3)4/h7H,5-6,8H2,1-4H3/b10-7+
InChIKeyFOHZVBVBHGVTJQ-JXMROGBWSA-N
MW141.26 g/mol
LogP2.90
Rot. Bonds3

About N-(2,2-dimethylpropyl)butan-1-imine

N-(2,2-dimethylpropyl)butan-1-imine (PubChem CID 59863662) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)butan-1-imine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)butan-1-imine
PubChem CID59863662
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-(2,2-dimethylpropyl)butan-1-imine
SMILESCCC/C=N/CC(C)(C)C
InChIInChI=1S/C9H19N/c1-5-6-7-10-8-9(2,3)4/h7H,5-6,8H2,1-4H3/b10-7+
InChIKeyFOHZVBVBHGVTJQ-JXMROGBWSA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.90
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-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine
CID 138622945
(Z)-butylidenehydrazine
CID 143347514
1-(butylideneamino)butan-2-one
CID 148750295
5-(butylideneamino)pentan-1-amine
CID 58308982
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-hexyldecan-1-imine
CID 174719675
N-tetradecyltridecan-1-imine
CID 175147598
(E)-N-[2,3-dimethylbutan-2-yl(dimethyl)silyl]butan-1-imine
CID 134925367
butylidenecyanamide
CID 21412158
[1-amino-3-(butylideneamino)propyl]-trimethylazanium
CID 174531694
2-(hexylideneamino)ethanol
CID 130130159

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)butan-1-imine?
The IUPAC name of N-(2,2-dimethylpropyl)butan-1-imine (CID 59863662) is N-(2,2-dimethylpropyl)butan-1-imine.
What is the SMILES notation for N-(2,2-dimethylpropyl)butan-1-imine?
The canonical SMILES for N-(2,2-dimethylpropyl)butan-1-imine is CCC/C=N/CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)butan-1-imine?
The InChIKey is FOHZVBVBHGVTJQ-JXMROGBWSA-N. The full InChI is InChI=1S/C9H19N/c1-5-6-7-10-8-9(2,3)4/h7H,5-6,8H2,1-4H3/b10-7+.
What are the key properties of N-(2,2-dimethylpropyl)butan-1-imine?
N-(2,2-dimethylpropyl)butan-1-imine has a molecular weight of 141.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)butan-1-imine is sourced from PubChem (CID 59863662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).