3-methyl-N-(3-methylhexan-3-yl)hexan-3-amine

C14H31N — CID 87914132

IUPAC3-methyl-N-(3-methylhexan-3-yl)hexan-3-amine
SMILESCCCC(C)(CC)NC(C)(CC)CCC
InChIInChI=1S/C14H31N/c1-7-11-13(5,9-3)15-14(6,10-4)12-8-2/h15H,7-12H2,1-6H3
InChIKeyVEQPZNRLLUUBIE-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.51
Rot. Bonds8

About 3-methyl-N-(3-methylhexan-3-yl)hexan-3-amine

3-methyl-N-(3-methylhexan-3-yl)hexan-3-amine (PubChem CID 87914132) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 3-methyl-N-(3-methylhexan-3-yl)hexan-3-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methylhexan-3-yl)hexan-3-amine
PubChem CID87914132
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name3-methyl-N-(3-methylhexan-3-yl)hexan-3-amine
SMILESCCCC(C)(CC)NC(C)(CC)CCC
InChIInChI=1S/C14H31N/c1-7-11-13(5,9-3)15-14(6,10-4)12-8-2/h15H,7-12H2,1-6H3
InChIKeyVEQPZNRLLUUBIE-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylhexan-3-yl)hexan-3-amine?
The IUPAC name of 3-methyl-N-(3-methylhexan-3-yl)hexan-3-amine (CID 87914132) is 3-methyl-N-(3-methylhexan-3-yl)hexan-3-amine.
What is the SMILES notation for 3-methyl-N-(3-methylhexan-3-yl)hexan-3-amine?
The canonical SMILES for 3-methyl-N-(3-methylhexan-3-yl)hexan-3-amine is CCCC(C)(CC)NC(C)(CC)CCC.
What is the InChIKey of 3-methyl-N-(3-methylhexan-3-yl)hexan-3-amine?
The InChIKey is VEQPZNRLLUUBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-7-11-13(5,9-3)15-14(6,10-4)12-8-2/h15H,7-12H2,1-6H3.
What are the key properties of 3-methyl-N-(3-methylhexan-3-yl)hexan-3-amine?
3-methyl-N-(3-methylhexan-3-yl)hexan-3-amine has a molecular weight of 213.41 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylhexan-3-yl)hexan-3-amine is sourced from PubChem (CID 87914132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).