2,4,4,6,6-pentamethylheptan-2-amine

C12H27N — CID 14598866

IUPAC2,4,4,6,6-pentamethylheptan-2-amine
SMILESCC(C)(C)CC(C)(C)CC(C)(C)N
InChIInChI=1S/C12H27N/c1-10(2,3)8-11(4,5)9-12(6,7)13/h8-9,13H2,1-7H3
InChIKeyFREUGFSLPBDYHQ-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.58
Rot. Bonds3

About 2,4,4,6,6-pentamethylheptan-2-amine

2,4,4,6,6-pentamethylheptan-2-amine (PubChem CID 14598866) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 2,4,4,6,6-pentamethylheptan-2-amine.

Molecular Properties

Compound Name2,4,4,6,6-pentamethylheptan-2-amine
PubChem CID14598866
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name2,4,4,6,6-pentamethylheptan-2-amine
SMILESCC(C)(C)CC(C)(C)CC(C)(C)N
InChIInChI=1S/C12H27N/c1-10(2,3)8-11(4,5)9-12(6,7)13/h8-9,13H2,1-7H3
InChIKeyFREUGFSLPBDYHQ-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,6,6-pentamethylheptan-2-amine?
The IUPAC name of 2,4,4,6,6-pentamethylheptan-2-amine (CID 14598866) is 2,4,4,6,6-pentamethylheptan-2-amine.
What is the SMILES notation for 2,4,4,6,6-pentamethylheptan-2-amine?
The canonical SMILES for 2,4,4,6,6-pentamethylheptan-2-amine is CC(C)(C)CC(C)(C)CC(C)(C)N.
What is the InChIKey of 2,4,4,6,6-pentamethylheptan-2-amine?
The InChIKey is FREUGFSLPBDYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-10(2,3)8-11(4,5)9-12(6,7)13/h8-9,13H2,1-7H3.
What are the key properties of 2,4,4,6,6-pentamethylheptan-2-amine?
2,4,4,6,6-pentamethylheptan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6,6-pentamethylheptan-2-amine is sourced from PubChem (CID 14598866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).