4-ethyl-N-methylnonan-1-amine

C12H27N — CID 174361476

IUPAC4-ethyl-N-methylnonan-1-amine
SMILESCCCCCC(CC)CCCNC
InChIInChI=1S/C12H27N/c1-4-6-7-9-12(5-2)10-8-11-13-3/h12-13H,4-11H2,1-3H3
InChIKeyYUHSTQMXWAIJKT-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds9

About 4-ethyl-N-methylnonan-1-amine

4-ethyl-N-methylnonan-1-amine (PubChem CID 174361476) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 4-ethyl-N-methylnonan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-methylnonan-1-amine
PubChem CID174361476
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name4-ethyl-N-methylnonan-1-amine
SMILESCCCCCC(CC)CCCNC
InChIInChI=1S/C12H27N/c1-4-6-7-9-12(5-2)10-8-11-13-3/h12-13H,4-11H2,1-3H3
InChIKeyYUHSTQMXWAIJKT-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-methylhexan-1-amine;hydrochloride
CID 122164420
2-ethyl-N-methylundecan-1-amine
CID 63522579
3-ethyl-6-(methylamino)hexan-1-ol
CID 142846754
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
3,6-diethylundecane
CID 22051817
7-ethyltridecane;methane
CID 158982306
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
3-ethylpentacosane
CID 22224239

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methylnonan-1-amine?
The IUPAC name of 4-ethyl-N-methylnonan-1-amine (CID 174361476) is 4-ethyl-N-methylnonan-1-amine.
What is the SMILES notation for 4-ethyl-N-methylnonan-1-amine?
The canonical SMILES for 4-ethyl-N-methylnonan-1-amine is CCCCCC(CC)CCCNC.
What is the InChIKey of 4-ethyl-N-methylnonan-1-amine?
The InChIKey is YUHSTQMXWAIJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-4-6-7-9-12(5-2)10-8-11-13-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 4-ethyl-N-methylnonan-1-amine?
4-ethyl-N-methylnonan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methylnonan-1-amine is sourced from PubChem (CID 174361476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).