3-[(cycloheptylamino)methyl]-5-methylhexanoic acid

C15H29NO2 — CID 82932880

IUPAC3-[(cycloheptylamino)methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC1CCCCCC1)CC(=O)O
InChIInChI=1S/C15H29NO2/c1-12(2)9-13(10-15(17)18)11-16-14-7-5-3-4-6-8-14/h12-14,16H,3-11H2,1-2H3,(H,17,18)
InChIKeyAUGTWPSKHZXJFI-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.44
Rot. Bonds7

About 3-[(cycloheptylamino)methyl]-5-methylhexanoic acid

3-[(cycloheptylamino)methyl]-5-methylhexanoic acid (PubChem CID 82932880) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-[(cycloheptylamino)methyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name3-[(cycloheptylamino)methyl]-5-methylhexanoic acid
PubChem CID82932880
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3-[(cycloheptylamino)methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC1CCCCCC1)CC(=O)O
InChIInChI=1S/C15H29NO2/c1-12(2)9-13(10-15(17)18)11-16-14-7-5-3-4-6-8-14/h12-14,16H,3-11H2,1-2H3,(H,17,18)
InChIKeyAUGTWPSKHZXJFI-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid
CID 65493498
N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine
CID 62530308
methanol;N-(2-methylpropyl)cyclopentanamine
CID 166557930
5-(cyclohexylamino)-4-methylpentanoic acid
CID 82933568
(3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid
CID 103869655
(3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid
CID 107175625
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
(3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid
CID 65495163
5-methyl-3-[[[(2S)-oxolane-2-carbonyl]amino]methyl]hexanoic acid
CID 104855778
5-methyl-3-[(2-methylpropanoylamino)methyl]hexanoic acid
CID 65492879
1-(cyclooctylamino)propan-2-ol
CID 20539535
1-(cycloheptylamino)propan-2-ol
CID 43392225

Frequently Asked Questions

What is the IUPAC name of 3-[(cycloheptylamino)methyl]-5-methylhexanoic acid?
The IUPAC name of 3-[(cycloheptylamino)methyl]-5-methylhexanoic acid (CID 82932880) is 3-[(cycloheptylamino)methyl]-5-methylhexanoic acid.
What is the SMILES notation for 3-[(cycloheptylamino)methyl]-5-methylhexanoic acid?
The canonical SMILES for 3-[(cycloheptylamino)methyl]-5-methylhexanoic acid is CC(C)CC(CNC1CCCCCC1)CC(=O)O.
What is the InChIKey of 3-[(cycloheptylamino)methyl]-5-methylhexanoic acid?
The InChIKey is AUGTWPSKHZXJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(2)9-13(10-15(17)18)11-16-14-7-5-3-4-6-8-14/h12-14,16H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 3-[(cycloheptylamino)methyl]-5-methylhexanoic acid?
3-[(cycloheptylamino)methyl]-5-methylhexanoic acid has a molecular weight of 255.40 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cycloheptylamino)methyl]-5-methylhexanoic acid is sourced from PubChem (CID 82932880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).