N,2-diethyl-2,4-dimethylhexan-1-amine

C12H27N — CID 62726078

IUPACN,2-diethyl-2,4-dimethylhexan-1-amine
SMILESCCNCC(C)(CC)CC(C)CC
InChIInChI=1S/C12H27N/c1-6-11(4)9-12(5,7-2)10-13-8-3/h11,13H,6-10H2,1-5H3
InChIKeyZMBUTQVUOIALES-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.45
Rot. Bonds7

About N,2-diethyl-2,4-dimethylhexan-1-amine

N,2-diethyl-2,4-dimethylhexan-1-amine (PubChem CID 62726078) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N,2-diethyl-2,4-dimethylhexan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-2,4-dimethylhexan-1-amine
PubChem CID62726078
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN,2-diethyl-2,4-dimethylhexan-1-amine
SMILESCCNCC(C)(CC)CC(C)CC
InChIInChI=1S/C12H27N/c1-6-11(4)9-12(5,7-2)10-13-8-3/h11,13H,6-10H2,1-5H3
InChIKeyZMBUTQVUOIALES-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-3,5-dimethylheptane;methane
CID 167702557
(3S)-5-ethyl-3,5-dimethyloctane
CID 143713459
N-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine
CID 163239092
N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729966
ethene;(3S)-5-ethyl-3,5-dimethyloctane;propane
CID 143713458
2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol
CID 62272801
2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol
CID 104554726
3-ethyl-3,4,4,6-tetramethyloctane
CID 57492408
1-bromo-2-(bromomethyl)-2,4-dimethylhexane
CID 79453025
1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol
CID 81418868
3-fluoro-3,5-dimethylheptane
CID 123257807
2,2,4-trimethyl-N-propylhexan-1-amine
CID 62724538

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2,4-dimethylhexan-1-amine?
The IUPAC name of N,2-diethyl-2,4-dimethylhexan-1-amine (CID 62726078) is N,2-diethyl-2,4-dimethylhexan-1-amine.
What is the SMILES notation for N,2-diethyl-2,4-dimethylhexan-1-amine?
The canonical SMILES for N,2-diethyl-2,4-dimethylhexan-1-amine is CCNCC(C)(CC)CC(C)CC.
What is the InChIKey of N,2-diethyl-2,4-dimethylhexan-1-amine?
The InChIKey is ZMBUTQVUOIALES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-11(4)9-12(5,7-2)10-13-8-3/h11,13H,6-10H2,1-5H3.
What are the key properties of N,2-diethyl-2,4-dimethylhexan-1-amine?
N,2-diethyl-2,4-dimethylhexan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-2,4-dimethylhexan-1-amine is sourced from PubChem (CID 62726078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).