2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine

C16H35N — CID 19083260

IUPAC2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine
SMILESCC(C)C(C)C(C)CNCC(C)C(C)C(C)C
InChIInChI=1S/C16H35N/c1-11(2)15(7)13(5)9-17-10-14(6)16(8)12(3)4/h11-17H,9-10H2,1-8H3
InChIKeyJRRMEAYFXHJFIE-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.43
Rot. Bonds8

About 2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine

2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine (PubChem CID 19083260) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine.

Molecular Properties

Compound Name2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine
PubChem CID19083260
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine
SMILESCC(C)C(C)C(C)CNCC(C)C(C)C(C)C
InChIInChI=1S/C16H35N/c1-11(2)15(7)13(5)9-17-10-14(6)16(8)12(3)4/h11-17H,9-10H2,1-8H3
InChIKeyJRRMEAYFXHJFIE-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine?
The IUPAC name of 2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine (CID 19083260) is 2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine.
What is the SMILES notation for 2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine?
The canonical SMILES for 2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine is CC(C)C(C)C(C)CNCC(C)C(C)C(C)C.
What is the InChIKey of 2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine?
The InChIKey is JRRMEAYFXHJFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-11(2)15(7)13(5)9-17-10-14(6)16(8)12(3)4/h11-17H,9-10H2,1-8H3.
What are the key properties of 2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine?
2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine is sourced from PubChem (CID 19083260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).