N-ethyl-3,6-dimethyloctan-4-amine

C12H27N — CID 63717606

IUPACN-ethyl-3,6-dimethyloctan-4-amine
SMILESCCNC(CC(C)CC)C(C)CC
InChIInChI=1S/C12H27N/c1-6-10(4)9-12(13-8-3)11(5)7-2/h10-13H,6-9H2,1-5H3
InChIKeyMCLNMLVFMHPATB-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.45
Rot. Bonds7

About N-ethyl-3,6-dimethyloctan-4-amine

N-ethyl-3,6-dimethyloctan-4-amine (PubChem CID 63717606) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-ethyl-3,6-dimethyloctan-4-amine.

Molecular Properties

Compound NameN-ethyl-3,6-dimethyloctan-4-amine
PubChem CID63717606
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-ethyl-3,6-dimethyloctan-4-amine
SMILESCCNC(CC(C)CC)C(C)CC
InChIInChI=1S/C12H27N/c1-6-10(4)9-12(13-8-3)11(5)7-2/h10-13H,6-9H2,1-5H3
InChIKeyMCLNMLVFMHPATB-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

N-ethyl-2,5-dimethylheptan-4-amine
CID 63717421
3,6-dimethyl-N-propyloctan-4-amine
CID 63716674
N-ethyl-1,1-dimethoxy-4-methylhexan-2-amine
CID 79492342
N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine
CID 115846349
2-N-ethyl-3-methylpentane-1,2-diamine
CID 62066397
N,5-diethyl-7-methylnonan-4-amine
CID 83051953
N-ethyl-5-methylhept-1-yn-4-amine
CID 63717234
N-ethyl-3,5-dimethylheptan-4-amine
CID 79446924
N,3-diethyl-7-methylnonan-5-amine
CID 105028147
3-ethoxy-N-ethyl-2,6-dimethylnonan-4-amine
CID 116721431
3,4,5,6,8-pentamethyldecane
CID 123810037
3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane
CID 161182355

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,6-dimethyloctan-4-amine?
The IUPAC name of N-ethyl-3,6-dimethyloctan-4-amine (CID 63717606) is N-ethyl-3,6-dimethyloctan-4-amine.
What is the SMILES notation for N-ethyl-3,6-dimethyloctan-4-amine?
The canonical SMILES for N-ethyl-3,6-dimethyloctan-4-amine is CCNC(CC(C)CC)C(C)CC.
What is the InChIKey of N-ethyl-3,6-dimethyloctan-4-amine?
The InChIKey is MCLNMLVFMHPATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-10(4)9-12(13-8-3)11(5)7-2/h10-13H,6-9H2,1-5H3.
What are the key properties of N-ethyl-3,6-dimethyloctan-4-amine?
N-ethyl-3,6-dimethyloctan-4-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-ethyl-3,6-dimethyloctan-4-amine is sourced from PubChem (CID 63717606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).