2-[1-[(cycloheptylamino)methyl]cyclohexyl]acetic acid

C16H29NO2 — CID 82933414

IUPAC2-[1-[(cycloheptylamino)methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CNC2CCCCCC2)CCCCC1
InChIInChI=1S/C16H29NO2/c18-15(19)12-16(10-6-3-7-11-16)13-17-14-8-4-1-2-5-9-14/h14,17H,1-13H2,(H,18,19)
InChIKeyKOPSMWZCNISJNW-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.72
Rot. Bonds5

About 2-[1-[(cycloheptylamino)methyl]cyclohexyl]acetic acid

2-[1-[(cycloheptylamino)methyl]cyclohexyl]acetic acid (PubChem CID 82933414) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-[1-[(cycloheptylamino)methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(cycloheptylamino)methyl]cyclohexyl]acetic acid
PubChem CID82933414
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-[1-[(cycloheptylamino)methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CNC2CCCCCC2)CCCCC1
InChIInChI=1S/C16H29NO2/c18-15(19)12-16(10-6-3-7-11-16)13-17-14-8-4-1-2-5-9-14/h14,17H,1-13H2,(H,18,19)
InChIKeyKOPSMWZCNISJNW-UHFFFAOYSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(cycloheptylamino)methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(cycloheptylamino)methyl]cyclohexyl]acetic acid (CID 82933414) is 2-[1-[(cycloheptylamino)methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(cycloheptylamino)methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(cycloheptylamino)methyl]cyclohexyl]acetic acid is O=C(O)CC1(CNC2CCCCCC2)CCCCC1.
What is the InChIKey of 2-[1-[(cycloheptylamino)methyl]cyclohexyl]acetic acid?
The InChIKey is KOPSMWZCNISJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c18-15(19)12-16(10-6-3-7-11-16)13-17-14-8-4-1-2-5-9-14/h14,17H,1-13H2,(H,18,19).
What are the key properties of 2-[1-[(cycloheptylamino)methyl]cyclohexyl]acetic acid?
2-[1-[(cycloheptylamino)methyl]cyclohexyl]acetic acid has a molecular weight of 267.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(cycloheptylamino)methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 82933414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).