N-but-3-enyl-N-ethyl-3,3-dimethylbutan-1-amine

C12H25N — CID 89010873

IUPACN-but-3-enyl-N-ethyl-3,3-dimethylbutan-1-amine
SMILESC=CCCN(CC)CCC(C)(C)C
InChIInChI=1S/C12H25N/c1-6-8-10-13(7-2)11-9-12(3,4)5/h6H,1,7-11H2,2-5H3
InChIKeyVFMQNOPFIZSGKA-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.32
Rot. Bonds6

About N-but-3-enyl-N-ethyl-3,3-dimethylbutan-1-amine

N-but-3-enyl-N-ethyl-3,3-dimethylbutan-1-amine (PubChem CID 89010873) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-but-3-enyl-N-ethyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-but-3-enyl-N-ethyl-3,3-dimethylbutan-1-amine
PubChem CID89010873
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-but-3-enyl-N-ethyl-3,3-dimethylbutan-1-amine
SMILESC=CCCN(CC)CCC(C)(C)C
InChIInChI=1S/C12H25N/c1-6-8-10-13(7-2)11-9-12(3,4)5/h6H,1,7-11H2,2-5H3
InChIKeyVFMQNOPFIZSGKA-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 2-[3,3-dimethylbutyl(prop-2-enyl)amino]acetate
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N-but-3-enyl-N,7-dimethyltetradecan-7-amine
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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-N-ethyl-3,3-dimethylbutan-1-amine?
The IUPAC name of N-but-3-enyl-N-ethyl-3,3-dimethylbutan-1-amine (CID 89010873) is N-but-3-enyl-N-ethyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-but-3-enyl-N-ethyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-but-3-enyl-N-ethyl-3,3-dimethylbutan-1-amine is C=CCCN(CC)CCC(C)(C)C.
What is the InChIKey of N-but-3-enyl-N-ethyl-3,3-dimethylbutan-1-amine?
The InChIKey is VFMQNOPFIZSGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-8-10-13(7-2)11-9-12(3,4)5/h6H,1,7-11H2,2-5H3.
What are the key properties of N-but-3-enyl-N-ethyl-3,3-dimethylbutan-1-amine?
N-but-3-enyl-N-ethyl-3,3-dimethylbutan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-N-ethyl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 89010873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).