2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid

C14H25NO2 — CID 114994714

IUPAC2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(NCC1CC=CCC1)C(=O)O
InChIInChI=1S/C14H25NO2/c1-11(2)9-14(3,13(16)17)15-10-12-7-5-4-6-8-12/h4-5,11-12,15H,6-10H2,1-3H3,(H,16,17)
InChIKeyAKDGPQNDWFOXNX-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.82
Rot. Bonds6

About 2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid

2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid (PubChem CID 114994714) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid
PubChem CID114994714
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(NCC1CC=CCC1)C(=O)O
InChIInChI=1S/C14H25NO2/c1-11(2)9-14(3,13(16)17)15-10-12-7-5-4-6-8-12/h4-5,11-12,15H,6-10H2,1-3H3,(H,16,17)
InChIKeyAKDGPQNDWFOXNX-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentyl]carbamate
CID 107252592
2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide
CID 97240049
2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
CID 61499571
3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol
CID 106185997
2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid
CID 114998033
2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid
CID 61001959
3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65263860
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424
N-(cyclohex-3-en-1-ylmethyl)-2-cyclopentylpropan-2-amine
CID 115868307
propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
CID 116655281
(2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide
CID 103838457
1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 71915662

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid (CID 114994714) is 2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid is CC(C)CC(C)(NCC1CC=CCC1)C(=O)O.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid?
The InChIKey is AKDGPQNDWFOXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)9-14(3,13(16)17)15-10-12-7-5-4-6-8-12/h4-5,11-12,15H,6-10H2,1-3H3,(H,16,17).
What are the key properties of 2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid?
2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid has a molecular weight of 239.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid is sourced from PubChem (CID 114994714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).