2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid

C14H27NO2 — CID 103259393

IUPAC2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid
SMILESCCCCC(NC1CCCC(C)(C)C1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-4-5-8-12(13(16)17)15-11-7-6-9-14(2,3)10-11/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyLBCPWBWSOKZINQ-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.19
Rot. Bonds6

About 2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid

2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid (PubChem CID 103259393) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid
PubChem CID103259393
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid
SMILESCCCCC(NC1CCCC(C)(C)C1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-4-5-8-12(13(16)17)15-11-7-6-9-14(2,3)10-11/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyLBCPWBWSOKZINQ-UHFFFAOYSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(spiro[3.5]nonan-2-ylamino)hexanoic acid
CID 122124242
2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid
CID 103256663
2-(cyclohexylamino)heptanoic acid
CID 60998800
2-(cyclopropylamino)heptanoic acid
CID 43754511
2-[(4,4-dimethylazepane-1-carbonyl)amino]hexanoic acid
CID 65282412
(2R)-2-(piperidin-3-ylamino)decanoic acid
CID 160838910
(2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol
CID 96710709
2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid
CID 106362432
2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid
CID 65055607
2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid
CID 103252992
6-amino-2-(cyclopentylamino)hexanoic acid
CID 19080804
2-(cyclohexylamino)-5-methoxypentanoic acid
CID 82932734

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid?
The IUPAC name of 2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid (CID 103259393) is 2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid?
The canonical SMILES for 2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid is CCCCC(NC1CCCC(C)(C)C1)C(=O)O.
What is the InChIKey of 2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid?
The InChIKey is LBCPWBWSOKZINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-5-8-12(13(16)17)15-11-7-6-9-14(2,3)10-11/h11-12,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid?
2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid is sourced from PubChem (CID 103259393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).