4-ethyl-N,7-dimethyloctan-4-amine

C12H27N — CID 167249904

IUPAC4-ethyl-N,7-dimethyloctan-4-amine
SMILESCCCC(CC)(CCC(C)C)NC
InChIInChI=1S/C12H27N/c1-6-9-12(7-2,13-5)10-8-11(3)4/h11,13H,6-10H2,1-5H3
InChIKeyLYPGXNNQBXJHGZ-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds7

About 4-ethyl-N,7-dimethyloctan-4-amine

4-ethyl-N,7-dimethyloctan-4-amine (PubChem CID 167249904) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 4-ethyl-N,7-dimethyloctan-4-amine.

Molecular Properties

Compound Name4-ethyl-N,7-dimethyloctan-4-amine
PubChem CID167249904
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name4-ethyl-N,7-dimethyloctan-4-amine
SMILESCCCC(CC)(CCC(C)C)NC
InChIInChI=1S/C12H27N/c1-6-9-12(7-2,13-5)10-8-11(3)4/h11,13H,6-10H2,1-5H3
InChIKeyLYPGXNNQBXJHGZ-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-N,6-dimethyl-3-propylheptane-1,3-diamine
CID 167122452
5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol
CID 107871606
3-ethyl-N,2-dimethylhexan-3-amine
CID 138660886
5-ethyl-2,8-dimethyl-5-propan-2-ylnonane
CID 123397627
2,2-diethyl-6-methyl-N-propan-2-ylheptan-1-amine
CID 83169784
3,3-dimethylpentane;2-methylhexane
CID 158289309
6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane
CID 157290295
6,6-dibutyl-2-methyldecane
CID 150480915
3-ethyl-2,3,6-trimethylheptane
CID 53428909
4,4-diethyl-2,7-dimethyloctane
CID 57492571
2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane
CID 59297460
2-methylpentane
CID 7892

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,7-dimethyloctan-4-amine?
The IUPAC name of 4-ethyl-N,7-dimethyloctan-4-amine (CID 167249904) is 4-ethyl-N,7-dimethyloctan-4-amine.
What is the SMILES notation for 4-ethyl-N,7-dimethyloctan-4-amine?
The canonical SMILES for 4-ethyl-N,7-dimethyloctan-4-amine is CCCC(CC)(CCC(C)C)NC.
What is the InChIKey of 4-ethyl-N,7-dimethyloctan-4-amine?
The InChIKey is LYPGXNNQBXJHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-9-12(7-2,13-5)10-8-11(3)4/h11,13H,6-10H2,1-5H3.
What are the key properties of 4-ethyl-N,7-dimethyloctan-4-amine?
4-ethyl-N,7-dimethyloctan-4-amine has a molecular weight of 185.35 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,7-dimethyloctan-4-amine is sourced from PubChem (CID 167249904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).