N,N-bis(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine

C18H39N — CID 59404198

IUPACN,N-bis(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCN(CCC(C)(C)C)CCC(C)(C)C
InChIInChI=1S/C18H39N/c1-16(2,3)10-13-19(14-11-17(4,5)6)15-12-18(7,8)9/h10-15H2,1-9H3
InChIKeyCHUMTHOXUBBIHW-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.60
Rot. Bonds6

About N,N-bis(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine

N,N-bis(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine (PubChem CID 59404198) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is N,N-bis(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN,N-bis(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine
PubChem CID59404198
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC NameN,N-bis(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCN(CCC(C)(C)C)CCC(C)(C)C
InChIInChI=1S/C18H39N/c1-16(2,3)10-13-19(14-11-17(4,5)6)15-12-18(7,8)9/h10-15H2,1-9H3
InChIKeyCHUMTHOXUBBIHW-UHFFFAOYSA-N
XLogP5.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-bis(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of N,N-bis(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine (CID 59404198) is N,N-bis(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N,N-bis(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for N,N-bis(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine is CC(C)(C)CCN(CCC(C)(C)C)CCC(C)(C)C.
What is the InChIKey of N,N-bis(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine?
The InChIKey is CHUMTHOXUBBIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-16(2,3)10-13-19(14-11-17(4,5)6)15-12-18(7,8)9/h10-15H2,1-9H3.
What are the key properties of N,N-bis(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine?
N,N-bis(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine has a molecular weight of 269.52 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 59404198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).