2-methyl-N,N-bis(2-methylbutyl)butan-1-amine

C15H33N — CID 14298629

IUPAC2-methyl-N,N-bis(2-methylbutyl)butan-1-amine
SMILESCCC(C)CN(CC(C)CC)CC(C)CC
InChIInChI=1S/C15H33N/c1-7-13(4)10-16(11-14(5)8-2)12-15(6)9-3/h13-15H,7-12H2,1-6H3
InChIKeyJZFBJRHPXVDQIM-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.43
Rot. Bonds9

About 2-methyl-N,N-bis(2-methylbutyl)butan-1-amine

2-methyl-N,N-bis(2-methylbutyl)butan-1-amine (PubChem CID 14298629) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 2-methyl-N,N-bis(2-methylbutyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N,N-bis(2-methylbutyl)butan-1-amine
PubChem CID14298629
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name2-methyl-N,N-bis(2-methylbutyl)butan-1-amine
SMILESCCC(C)CN(CC(C)CC)CC(C)CC
InChIInChI=1S/C15H33N/c1-7-13(4)10-16(11-14(5)8-2)12-15(6)9-3/h13-15H,7-12H2,1-6H3
InChIKeyJZFBJRHPXVDQIM-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-bis(2-methylbutyl)butan-1-amine?
The IUPAC name of 2-methyl-N,N-bis(2-methylbutyl)butan-1-amine (CID 14298629) is 2-methyl-N,N-bis(2-methylbutyl)butan-1-amine.
What is the SMILES notation for 2-methyl-N,N-bis(2-methylbutyl)butan-1-amine?
The canonical SMILES for 2-methyl-N,N-bis(2-methylbutyl)butan-1-amine is CCC(C)CN(CC(C)CC)CC(C)CC.
What is the InChIKey of 2-methyl-N,N-bis(2-methylbutyl)butan-1-amine?
The InChIKey is JZFBJRHPXVDQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-7-13(4)10-16(11-14(5)8-2)12-15(6)9-3/h13-15H,7-12H2,1-6H3.
What are the key properties of 2-methyl-N,N-bis(2-methylbutyl)butan-1-amine?
2-methyl-N,N-bis(2-methylbutyl)butan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis(2-methylbutyl)butan-1-amine is sourced from PubChem (CID 14298629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).