N-ethenyl-3-methyl-N-(3-methylbutyl)butan-1-amine

C12H25N — CID 54538707

IUPACN-ethenyl-3-methyl-N-(3-methylbutyl)butan-1-amine
SMILESC=CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C12H25N/c1-6-13(9-7-11(2)3)10-8-12(4)5/h6,11-12H,1,7-10H2,2-5H3
InChIKeyGPCVANNZFWDBOS-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.52
Rot. Bonds7

About N-ethenyl-3-methyl-N-(3-methylbutyl)butan-1-amine

N-ethenyl-3-methyl-N-(3-methylbutyl)butan-1-amine (PubChem CID 54538707) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-ethenyl-3-methyl-N-(3-methylbutyl)butan-1-amine.

Molecular Properties

Compound NameN-ethenyl-3-methyl-N-(3-methylbutyl)butan-1-amine
PubChem CID54538707
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-ethenyl-3-methyl-N-(3-methylbutyl)butan-1-amine
SMILESC=CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C12H25N/c1-6-13(9-7-11(2)3)10-8-12(4)5/h6,11-12H,1,7-10H2,2-5H3
InChIKeyGPCVANNZFWDBOS-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-methyl-N-(3-methylbutyl)butan-1-amine?
The IUPAC name of N-ethenyl-3-methyl-N-(3-methylbutyl)butan-1-amine (CID 54538707) is N-ethenyl-3-methyl-N-(3-methylbutyl)butan-1-amine.
What is the SMILES notation for N-ethenyl-3-methyl-N-(3-methylbutyl)butan-1-amine?
The canonical SMILES for N-ethenyl-3-methyl-N-(3-methylbutyl)butan-1-amine is C=CN(CCC(C)C)CCC(C)C.
What is the InChIKey of N-ethenyl-3-methyl-N-(3-methylbutyl)butan-1-amine?
The InChIKey is GPCVANNZFWDBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-13(9-7-11(2)3)10-8-12(4)5/h6,11-12H,1,7-10H2,2-5H3.
What are the key properties of N-ethenyl-3-methyl-N-(3-methylbutyl)butan-1-amine?
N-ethenyl-3-methyl-N-(3-methylbutyl)butan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-methyl-N-(3-methylbutyl)butan-1-amine is sourced from PubChem (CID 54538707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).