6-ethyl-N,5,6,7-tetramethylnon-3-en-2-amine

C15H31N — CID 123211103

IUPAC6-ethyl-N,5,6,7-tetramethylnon-3-en-2-amine
SMILESCCC(C)C(C)(CC)C(C)C=CC(C)NC
InChIInChI=1S/C15H31N/c1-8-12(3)15(6,9-2)13(4)10-11-14(5)16-7/h10-14,16H,8-9H2,1-7H3
InChIKeyRUPGHVGQDHRNHT-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.25
Rot. Bonds7

About 6-ethyl-N,5,6,7-tetramethylnon-3-en-2-amine

6-ethyl-N,5,6,7-tetramethylnon-3-en-2-amine (PubChem CID 123211103) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 6-ethyl-N,5,6,7-tetramethylnon-3-en-2-amine.

Molecular Properties

Compound Name6-ethyl-N,5,6,7-tetramethylnon-3-en-2-amine
PubChem CID123211103
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name6-ethyl-N,5,6,7-tetramethylnon-3-en-2-amine
SMILESCCC(C)C(C)(CC)C(C)C=CC(C)NC
InChIInChI=1S/C15H31N/c1-8-12(3)15(6,9-2)13(4)10-11-14(5)16-7/h10-14,16H,8-9H2,1-7H3
InChIKeyRUPGHVGQDHRNHT-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyloct-5-en-3-amine
CID 170847794
N,2-dimethylundeca-5,10-dien-3-amine
CID 53789697
N,4,4-trimethylcyclohex-2-en-1-amine
CID 56979088
(1S,4R)-N,4-dimethyl-4-propan-2-ylcyclopent-2-en-1-amine
CID 58897206
2-(2,2-Dimethylpropyl)-1,2,3,6-tetrahydropyridine
CID 58911953
(E)-N-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine
CID 59888260
(E,3R)-2,2,3,7,7-pentamethyloct-5-en-4-amine
CID 59907710
(Z)-1-cyclohex-3-en-1-ylpent-1-en-3-amine
CID 67951561
(Z)-4-[(2R)-2-methylcyclohex-3-en-1-yl]but-3-en-2-amine
CID 67951600
(Z,2R)-4-cyclohex-3-en-1-ylbut-3-en-2-amine
CID 67951637
(E)-N-prop-1-en-2-yl-3-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-amine
CID 68302136
(Z)-N-prop-1-en-2-yl-3-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-amine
CID 68302305

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N,5,6,7-tetramethylnon-3-en-2-amine?
The IUPAC name of 6-ethyl-N,5,6,7-tetramethylnon-3-en-2-amine (CID 123211103) is 6-ethyl-N,5,6,7-tetramethylnon-3-en-2-amine.
What is the SMILES notation for 6-ethyl-N,5,6,7-tetramethylnon-3-en-2-amine?
The canonical SMILES for 6-ethyl-N,5,6,7-tetramethylnon-3-en-2-amine is CCC(C)C(C)(CC)C(C)C=CC(C)NC.
What is the InChIKey of 6-ethyl-N,5,6,7-tetramethylnon-3-en-2-amine?
The InChIKey is RUPGHVGQDHRNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-8-12(3)15(6,9-2)13(4)10-11-14(5)16-7/h10-14,16H,8-9H2,1-7H3.
What are the key properties of 6-ethyl-N,5,6,7-tetramethylnon-3-en-2-amine?
6-ethyl-N,5,6,7-tetramethylnon-3-en-2-amine has a molecular weight of 225.42 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N,5,6,7-tetramethylnon-3-en-2-amine is sourced from PubChem (CID 123211103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).