2-(1-cyclohexylpropylamino)hexanoic acid

C15H29NO2 — CID 103249990

IUPAC2-(1-cyclohexylpropylamino)hexanoic acid
SMILESCCCCC(NC(CC)C1CCCCC1)C(=O)O
InChIInChI=1S/C15H29NO2/c1-3-5-11-14(15(17)18)16-13(4-2)12-9-7-6-8-10-12/h12-14,16H,3-11H2,1-2H3,(H,17,18)
InChIKeyKNGBCOMRAMIRRA-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.58
Rot. Bonds8

About 2-(1-cyclohexylpropylamino)hexanoic acid

2-(1-cyclohexylpropylamino)hexanoic acid (PubChem CID 103249990) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-(1-cyclohexylpropylamino)hexanoic acid.

Molecular Properties

Compound Name2-(1-cyclohexylpropylamino)hexanoic acid
PubChem CID103249990
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-(1-cyclohexylpropylamino)hexanoic acid
SMILESCCCCC(NC(CC)C1CCCCC1)C(=O)O
InChIInChI=1S/C15H29NO2/c1-3-5-11-14(15(17)18)16-13(4-2)12-9-7-6-8-10-12/h12-14,16H,3-11H2,1-2H3,(H,17,18)
InChIKeyKNGBCOMRAMIRRA-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-cyclobutylhexanoic acid
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2-(2-cyclohexylethylamino)hexanoic acid
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2-(spiro[3.5]nonan-2-ylamino)hexanoic acid
CID 122124242
N-(2-amino-1-cyclohexylethyl)-2-ethylhexanamide
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2-cyclohexyldecanoic acid
CID 19004831
2-[[(1S)-1-cycloheptylethyl]amino]butanoic acid
CID 81392114
2-[[(1R)-1-cycloheptylethyl]amino]butanoic acid
CID 81392766
2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid
CID 69166197
2-(1-cyclohexylpropylamino)propan-1-ol
CID 115724810

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpropylamino)hexanoic acid?
The IUPAC name of 2-(1-cyclohexylpropylamino)hexanoic acid (CID 103249990) is 2-(1-cyclohexylpropylamino)hexanoic acid.
What is the SMILES notation for 2-(1-cyclohexylpropylamino)hexanoic acid?
The canonical SMILES for 2-(1-cyclohexylpropylamino)hexanoic acid is CCCCC(NC(CC)C1CCCCC1)C(=O)O.
What is the InChIKey of 2-(1-cyclohexylpropylamino)hexanoic acid?
The InChIKey is KNGBCOMRAMIRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-5-11-14(15(17)18)16-13(4-2)12-9-7-6-8-10-12/h12-14,16H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 2-(1-cyclohexylpropylamino)hexanoic acid?
2-(1-cyclohexylpropylamino)hexanoic acid has a molecular weight of 255.40 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpropylamino)hexanoic acid is sourced from PubChem (CID 103249990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).