4,4-dimethyl-N-(2,3,3-trimethylbutyl)pentan-2-amine

C14H31N — CID 89116357

IUPAC4,4-dimethyl-N-(2,3,3-trimethylbutyl)pentan-2-amine
SMILESCC(CC(C)(C)C)NCC(C)C(C)(C)C
InChIInChI=1S/C14H31N/c1-11(14(6,7)8)10-15-12(2)9-13(3,4)5/h11-12,15H,9-10H2,1-8H3
InChIKeyMZQYQBLVCONSCW-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.08
Rot. Bonds4

About 4,4-dimethyl-N-(2,3,3-trimethylbutyl)pentan-2-amine

4,4-dimethyl-N-(2,3,3-trimethylbutyl)pentan-2-amine (PubChem CID 89116357) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2,3,3-trimethylbutyl)pentan-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2,3,3-trimethylbutyl)pentan-2-amine
PubChem CID89116357
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name4,4-dimethyl-N-(2,3,3-trimethylbutyl)pentan-2-amine
SMILESCC(CC(C)(C)C)NCC(C)C(C)(C)C
InChIInChI=1S/C14H31N/c1-11(14(6,7)8)10-15-12(2)9-13(3,4)5/h11-12,15H,9-10H2,1-8H3
InChIKeyMZQYQBLVCONSCW-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(2,3,3-trimethylbutyl)pentan-2-amine?
The IUPAC name of 4,4-dimethyl-N-(2,3,3-trimethylbutyl)pentan-2-amine (CID 89116357) is 4,4-dimethyl-N-(2,3,3-trimethylbutyl)pentan-2-amine.
What is the SMILES notation for 4,4-dimethyl-N-(2,3,3-trimethylbutyl)pentan-2-amine?
The canonical SMILES for 4,4-dimethyl-N-(2,3,3-trimethylbutyl)pentan-2-amine is CC(CC(C)(C)C)NCC(C)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-N-(2,3,3-trimethylbutyl)pentan-2-amine?
The InChIKey is MZQYQBLVCONSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-11(14(6,7)8)10-15-12(2)9-13(3,4)5/h11-12,15H,9-10H2,1-8H3.
What are the key properties of 4,4-dimethyl-N-(2,3,3-trimethylbutyl)pentan-2-amine?
4,4-dimethyl-N-(2,3,3-trimethylbutyl)pentan-2-amine has a molecular weight of 213.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2,3,3-trimethylbutyl)pentan-2-amine is sourced from PubChem (CID 89116357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).