1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid

C17H31NO2 — CID 63449213

IUPAC1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C1CCC(NC2CCCCCC2)(C(=O)O)CC1
InChIInChI=1S/C17H31NO2/c1-13(2)14-9-11-17(12-10-14,16(19)20)18-15-7-5-3-4-6-8-15/h13-15,18H,3-12H2,1-2H3,(H,19,20)
InChIKeyVWCNXHYAPCXTJK-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.97
Rot. Bonds4

About 1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid

1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 63449213) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID63449213
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C1CCC(NC2CCCCCC2)(C(=O)O)CC1
InChIInChI=1S/C17H31NO2/c1-13(2)14-9-11-17(12-10-14,16(19)20)18-15-7-5-3-4-6-8-15/h13-15,18H,3-12H2,1-2H3,(H,19,20)
InChIKeyVWCNXHYAPCXTJK-UHFFFAOYSA-N
XLogP3.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 62704491
1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide
CID 65089013
1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 103563390
1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid
CID 82237604
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451
4-(cycloheptylamino)thiane-4-carboxylic acid
CID 61319838
4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid
CID 65076211
4-(cyclopentylamino)piperidine-4-carboxylic acid
CID 61243380
3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 60998086
4-(cyclopentylamino)-1-ethylpiperidine-4-carboxylic acid
CID 54894276
4-(cyclopentylamino)-1-methylazepane-4-carboxylic acid
CID 65075216
1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 81167483

Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid (CID 63449213) is 1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid is CC(C)C1CCC(NC2CCCCCC2)(C(=O)O)CC1.
What is the InChIKey of 1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is VWCNXHYAPCXTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-13(2)14-9-11-17(12-10-14,16(19)20)18-15-7-5-3-4-6-8-15/h13-15,18H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid?
1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 281.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63449213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).