2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine

C12H25N — CID 114472495

IUPAC2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine
SMILESC=C(C)CCNCC(C)C(C)(C)C
InChIInChI=1S/C12H25N/c1-10(2)7-8-13-9-11(3)12(4,5)6/h11,13H,1,7-9H2,2-6H3
InChIKeyCAZQBVSJLIDXFF-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.22
Rot. Bonds5

About 2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine

2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine (PubChem CID 114472495) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine
PubChem CID114472495
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine
SMILESC=C(C)CCNCC(C)C(C)(C)C
InChIInChI=1S/C12H25N/c1-10(2)7-8-13-9-11(3)12(4,5)6/h11,13H,1,7-9H2,2-6H3
InChIKeyCAZQBVSJLIDXFF-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide
CID 107529863
N-(2-ethoxyethyl)-2,3,3-trimethylbutan-1-amine
CID 83143749
methyl 4-(2,3,3-trimethylbutylamino)butanoate
CID 83144515
N'-propan-2-yl-N-(2,3,3-trimethylbutyl)propane-1,3-diamine
CID 83144622
N,2,7,8,8-pentamethylnon-1-en-5-amine
CID 105039716
2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine
CID 83143358
2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine
CID 114472186
2-methyl-2-[(2,3,3-trimethylbutylamino)methyl]propane-1,3-diol
CID 83144416
N'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide
CID 83144600
N-(2-ethoxy-2-methylpropyl)-3-methylbut-3-en-1-amine
CID 114941946
N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine
CID 83143458
2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol
CID 106292807

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine (CID 114472495) is 2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine is C=C(C)CCNCC(C)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine?
The InChIKey is CAZQBVSJLIDXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)7-8-13-9-11(3)12(4,5)6/h11,13H,1,7-9H2,2-6H3.
What are the key properties of 2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine?
2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine is sourced from PubChem (CID 114472495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).