5-ethyl-3-hexyl-2-methylnonan-2-amine

C18H39N — CID 3024221

IUPAC5-ethyl-3-hexyl-2-methylnonan-2-amine
SMILESCCCCCCC(CC(CC)CCCC)C(C)(C)N
InChIInChI=1S/C18H39N/c1-6-9-11-12-14-17(18(4,5)19)15-16(8-3)13-10-7-2/h16-17H,6-15,19H2,1-5H3
InChIKeyFFIDDDJNBIMYGV-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.92
Rot. Bonds12

About 5-ethyl-3-hexyl-2-methylnonan-2-amine

5-ethyl-3-hexyl-2-methylnonan-2-amine (PubChem CID 3024221) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is 5-ethyl-3-hexyl-2-methylnonan-2-amine.

Molecular Properties

Compound Name5-ethyl-3-hexyl-2-methylnonan-2-amine
PubChem CID3024221
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC Name5-ethyl-3-hexyl-2-methylnonan-2-amine
SMILESCCCCCCC(CC(CC)CCCC)C(C)(C)N
InChIInChI=1S/C18H39N/c1-6-9-11-12-14-17(18(4,5)19)15-16(8-3)13-10-7-2/h16-17H,6-15,19H2,1-5H3
InChIKeyFFIDDDJNBIMYGV-UHFFFAOYSA-N
XLogP5.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.92
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-methylnonan-2-amine
CID 175488413
3-hexyl-2-methylundecan-2-amine
CID 89005835
3-ethyl-2-methylnonadecan-2-amine;hydrobromide
CID 173248519
4-(2-aminopropan-2-yl)icosan-2-ol
CID 87495669
2-tert-butyl-4-ethyloctan-1-amine
CID 83139279
9-ethyl-11-heptylnonadecane
CID 90975246
9-ethyl-7-pentylhexadecane
CID 91283125
5-ethyl-8-(2-ethylhexyl)-7,7-dimethoxyhexadecane
CID 151119437
4-(2-aminopropan-2-yl)-1-chloroicosan-2-ol;hydrobromide
CID 173086474
5,8,10-triethylpentadecane
CID 123791231
5-ethyl-7-methylhexadecane
CID 173452938
3-ethylpentacosane
CID 22224239

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-hexyl-2-methylnonan-2-amine?
The IUPAC name of 5-ethyl-3-hexyl-2-methylnonan-2-amine (CID 3024221) is 5-ethyl-3-hexyl-2-methylnonan-2-amine.
What is the SMILES notation for 5-ethyl-3-hexyl-2-methylnonan-2-amine?
The canonical SMILES for 5-ethyl-3-hexyl-2-methylnonan-2-amine is CCCCCCC(CC(CC)CCCC)C(C)(C)N.
What is the InChIKey of 5-ethyl-3-hexyl-2-methylnonan-2-amine?
The InChIKey is FFIDDDJNBIMYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-6-9-11-12-14-17(18(4,5)19)15-16(8-3)13-10-7-2/h16-17H,6-15,19H2,1-5H3.
What are the key properties of 5-ethyl-3-hexyl-2-methylnonan-2-amine?
5-ethyl-3-hexyl-2-methylnonan-2-amine has a molecular weight of 269.52 g/mol, XLogP of 5.92, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-hexyl-2-methylnonan-2-amine is sourced from PubChem (CID 3024221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).