N,N,4,4,5,5-hexamethylhexan-1-amine

C12H27N — CID 20706715

IUPACN,N,4,4,5,5-hexamethylhexan-1-amine
SMILESCN(C)CCCC(C)(C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-11(2,3)12(4,5)9-8-10-13(6)7/h8-10H2,1-7H3
InChIKeyOIHTVZOLVMNZIC-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.40
Rot. Bonds4

About N,N,4,4,5,5-hexamethylhexan-1-amine

N,N,4,4,5,5-hexamethylhexan-1-amine (PubChem CID 20706715) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N,N,4,4,5,5-hexamethylhexan-1-amine.

Molecular Properties

Compound NameN,N,4,4,5,5-hexamethylhexan-1-amine
PubChem CID20706715
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN,N,4,4,5,5-hexamethylhexan-1-amine
SMILESCN(C)CCCC(C)(C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-11(2,3)12(4,5)9-8-10-13(6)7/h8-10H2,1-7H3
InChIKeyOIHTVZOLVMNZIC-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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,4,4,5,5-hexamethylhexan-1-amine?
The IUPAC name of N,N,4,4,5,5-hexamethylhexan-1-amine (CID 20706715) is N,N,4,4,5,5-hexamethylhexan-1-amine.
What is the SMILES notation for N,N,4,4,5,5-hexamethylhexan-1-amine?
The canonical SMILES for N,N,4,4,5,5-hexamethylhexan-1-amine is CN(C)CCCC(C)(C)C(C)(C)C.
What is the InChIKey of N,N,4,4,5,5-hexamethylhexan-1-amine?
The InChIKey is OIHTVZOLVMNZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-11(2,3)12(4,5)9-8-10-13(6)7/h8-10H2,1-7H3.
What are the key properties of N,N,4,4,5,5-hexamethylhexan-1-amine?
N,N,4,4,5,5-hexamethylhexan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4,4,5,5-hexamethylhexan-1-amine is sourced from PubChem (CID 20706715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).