N-ethyl-N,2,4-trimethylhex-5-en-3-amine

C11H23N — CID 123903159

IUPACN-ethyl-N,2,4-trimethylhex-5-en-3-amine
SMILESC=CC(C)C(C(C)C)N(C)CC
InChIInChI=1S/C11H23N/c1-7-10(5)11(9(3)4)12(6)8-2/h7,9-11H,1,8H2,2-6H3
InChIKeyCBGGDNXVWBBVHB-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.78
Rot. Bonds5

About N-ethyl-N,2,4-trimethylhex-5-en-3-amine

N-ethyl-N,2,4-trimethylhex-5-en-3-amine (PubChem CID 123903159) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-ethyl-N,2,4-trimethylhex-5-en-3-amine.

Molecular Properties

Compound NameN-ethyl-N,2,4-trimethylhex-5-en-3-amine
PubChem CID123903159
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-ethyl-N,2,4-trimethylhex-5-en-3-amine
SMILESC=CC(C)C(C(C)C)N(C)CC
InChIInChI=1S/C11H23N/c1-7-10(5)11(9(3)4)12(6)8-2/h7,9-11H,1,8H2,2-6H3
InChIKeyCBGGDNXVWBBVHB-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-methylhept-6-en-1-amine
CID 17824958
N-butyl-N-(1-cycloprop-2-en-1-ylethyl)-4-fluorobutan-1-amine
CID 134405267
3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-1-en-3-amine
CID 151528750
(2R,3R)-4-fluoro-N,N,3-trimethylhex-5-en-2-amine
CID 173954648
(6R)-6-fluoro-1,2-di(propan-2-yl)-2,3,6,7-tetrahydroazepine
CID 178929685
(2R)-3-(fluoromethyl)-1,2-di(propan-2-yl)-2,3,6,7-tetrahydroazepine
CID 178929693
(3R)-3-fluoro-1,2-di(propan-2-yl)-2,3,6,7-tetrahydroazepine
CID 178930025
6-Fluoro-1,2-di(propan-2-yl)-2,3,6,7-tetrahydroazepine
CID 178930064
3-Fluoro-2-methyl-1,7-di(propan-2-yl)-2,3,6,7-tetrahydroazepine
CID 178930293
(2R,3R)-3-fluoro-1,2-di(propan-2-yl)-2,3,6,7-tetrahydroazepine
CID 178930481
(2R,3S,7S)-3-fluoro-7-methyl-1,2-di(propan-2-yl)-2,3,6,7-tetrahydroazepine
CID 178930484
3-Fluoro-7-methyl-1,2-di(propan-2-yl)-2,3,6,7-tetrahydroazepine
CID 178930511

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2,4-trimethylhex-5-en-3-amine?
The IUPAC name of N-ethyl-N,2,4-trimethylhex-5-en-3-amine (CID 123903159) is N-ethyl-N,2,4-trimethylhex-5-en-3-amine.
What is the SMILES notation for N-ethyl-N,2,4-trimethylhex-5-en-3-amine?
The canonical SMILES for N-ethyl-N,2,4-trimethylhex-5-en-3-amine is C=CC(C)C(C(C)C)N(C)CC.
What is the InChIKey of N-ethyl-N,2,4-trimethylhex-5-en-3-amine?
The InChIKey is CBGGDNXVWBBVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-7-10(5)11(9(3)4)12(6)8-2/h7,9-11H,1,8H2,2-6H3.
What are the key properties of N-ethyl-N,2,4-trimethylhex-5-en-3-amine?
N-ethyl-N,2,4-trimethylhex-5-en-3-amine has a molecular weight of 169.31 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2,4-trimethylhex-5-en-3-amine is sourced from PubChem (CID 123903159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).