3-ethyl-2,5-dimethyloctan-3-amine

C12H27N — CID 62619979

IUPAC3-ethyl-2,5-dimethyloctan-3-amine
SMILESCCCC(C)CC(N)(CC)C(C)C
InChIInChI=1S/C12H27N/c1-6-8-11(5)9-12(13,7-2)10(3)4/h10-11H,6-9,13H2,1-5H3
InChIKeyUAPQZJTZRJKYMH-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.58
Rot. Bonds6

About 3-ethyl-2,5-dimethyloctan-3-amine

3-ethyl-2,5-dimethyloctan-3-amine (PubChem CID 62619979) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 3-ethyl-2,5-dimethyloctan-3-amine.

Molecular Properties

Compound Name3-ethyl-2,5-dimethyloctan-3-amine
PubChem CID62619979
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name3-ethyl-2,5-dimethyloctan-3-amine
SMILESCCCC(C)CC(N)(CC)C(C)C
InChIInChI=1S/C12H27N/c1-6-8-11(5)9-12(13,7-2)10(3)4/h10-11H,6-9,13H2,1-5H3
InChIKeyUAPQZJTZRJKYMH-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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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Related Compounds

ethane;(5R)-3,3,5-trimethyloctane
CID 143538899
1,1,1-trichloro-3-methylhexane
CID 23264412
1-bromo-2-(bromomethyl)-2,4-dimethylheptane
CID 79453962
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
3,3-bis(chloromethyl)-2,5-dimethyloctane
CID 79447223
2,4,6-trimethyl-4-propan-2-ylnonane
CID 90931226
7-methyldecane-1,3,5,5-tetramine
CID 91165293
(3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane
CID 143524876
4-methylheptane;propane
CID 142171269
1-chloro-2,2,4-trimethylheptane
CID 66059738
3-amino-3-fluoro-5-methyl-2-oxooctanamide
CID 123627486

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5-dimethyloctan-3-amine?
The IUPAC name of 3-ethyl-2,5-dimethyloctan-3-amine (CID 62619979) is 3-ethyl-2,5-dimethyloctan-3-amine.
What is the SMILES notation for 3-ethyl-2,5-dimethyloctan-3-amine?
The canonical SMILES for 3-ethyl-2,5-dimethyloctan-3-amine is CCCC(C)CC(N)(CC)C(C)C.
What is the InChIKey of 3-ethyl-2,5-dimethyloctan-3-amine?
The InChIKey is UAPQZJTZRJKYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-8-11(5)9-12(13,7-2)10(3)4/h10-11H,6-9,13H2,1-5H3.
What are the key properties of 3-ethyl-2,5-dimethyloctan-3-amine?
3-ethyl-2,5-dimethyloctan-3-amine has a molecular weight of 185.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5-dimethyloctan-3-amine is sourced from PubChem (CID 62619979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).