N,N,2,2,5,5-hexamethylhexan-3-amine

C12H27N — CID 134344058

IUPACN,N,2,2,5,5-hexamethylhexan-3-amine
SMILESCN(C)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-11(2,3)9-10(13(7)8)12(4,5)6/h10H,9H2,1-8H3
InChIKeyCEWAIRANWFNJHY-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.40
Rot. Bonds2

About N,N,2,2,5,5-hexamethylhexan-3-amine

N,N,2,2,5,5-hexamethylhexan-3-amine (PubChem CID 134344058) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N,N,2,2,5,5-hexamethylhexan-3-amine.

Molecular Properties

Compound NameN,N,2,2,5,5-hexamethylhexan-3-amine
PubChem CID134344058
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN,N,2,2,5,5-hexamethylhexan-3-amine
SMILESCN(C)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-11(2,3)9-10(13(7)8)12(4,5)6/h10H,9H2,1-8H3
InChIKeyCEWAIRANWFNJHY-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2,5,5-hexamethylhexan-3-amine?
The IUPAC name of N,N,2,2,5,5-hexamethylhexan-3-amine (CID 134344058) is N,N,2,2,5,5-hexamethylhexan-3-amine.
What is the SMILES notation for N,N,2,2,5,5-hexamethylhexan-3-amine?
The canonical SMILES for N,N,2,2,5,5-hexamethylhexan-3-amine is CN(C)C(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of N,N,2,2,5,5-hexamethylhexan-3-amine?
The InChIKey is CEWAIRANWFNJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-11(2,3)9-10(13(7)8)12(4,5)6/h10H,9H2,1-8H3.
What are the key properties of N,N,2,2,5,5-hexamethylhexan-3-amine?
N,N,2,2,5,5-hexamethylhexan-3-amine has a molecular weight of 185.35 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2,5,5-hexamethylhexan-3-amine is sourced from PubChem (CID 134344058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).