3-ethyl-2-methylnonan-2-amine

C12H27N — CID 175488413

IUPAC3-ethyl-2-methylnonan-2-amine
SMILESCCCCCCC(CC)C(C)(C)N
InChIInChI=1S/C12H27N/c1-5-7-8-9-10-11(6-2)12(3,4)13/h11H,5-10,13H2,1-4H3
InChIKeyAECNGXGSCPKTIB-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.72
Rot. Bonds7

About 3-ethyl-2-methylnonan-2-amine

3-ethyl-2-methylnonan-2-amine (PubChem CID 175488413) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 3-ethyl-2-methylnonan-2-amine.

Molecular Properties

Compound Name3-ethyl-2-methylnonan-2-amine
PubChem CID175488413
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name3-ethyl-2-methylnonan-2-amine
SMILESCCCCCCC(CC)C(C)(C)N
InChIInChI=1S/C12H27N/c1-5-7-8-9-10-11(6-2)12(3,4)13/h11H,5-10,13H2,1-4H3
InChIKeyAECNGXGSCPKTIB-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 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 ≤ 53.72
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

3-ethyl-2-methylnonadecan-2-amine;hydrobromide
CID 173248519
3-hexyl-2-methylundecan-2-amine
CID 89005835
3,4-diethylundecan-3-amine;hydrobromide
CID 173157515
5-ethyl-3-hexyl-2-methylnonan-2-amine
CID 3024221
2-methyl-3-prop-2-enylheptadecan-2-amine;hydrochloride
CID 173035002
3,4-diethylnonan-3-amine;hydrobromide
CID 173157604
3,4-diethylnonan-3-amine;hydrochloride
CID 173157621
4-(2-aminopropan-2-yl)icosan-2-ol
CID 87495669
4-ethylnonane-3,3-diamine
CID 168918748
3-ethyl-2-methylundecan-2-ol
CID 91236413
9-tert-butylhenicosane
CID 150708915
2-methyldecane-2,3-diamine
CID 87934186

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylnonan-2-amine?
The IUPAC name of 3-ethyl-2-methylnonan-2-amine (CID 175488413) is 3-ethyl-2-methylnonan-2-amine.
What is the SMILES notation for 3-ethyl-2-methylnonan-2-amine?
The canonical SMILES for 3-ethyl-2-methylnonan-2-amine is CCCCCCC(CC)C(C)(C)N.
What is the InChIKey of 3-ethyl-2-methylnonan-2-amine?
The InChIKey is AECNGXGSCPKTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-5-7-8-9-10-11(6-2)12(3,4)13/h11H,5-10,13H2,1-4H3.
What are the key properties of 3-ethyl-2-methylnonan-2-amine?
3-ethyl-2-methylnonan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylnonan-2-amine is sourced from PubChem (CID 175488413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).