1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid

C15H27NO2 — CID 43754485

IUPAC1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
SMILESCCC(C)(C)C1CCC(NC2CC2)(C(=O)O)CC1
InChIInChI=1S/C15H27NO2/c1-4-14(2,3)11-7-9-15(10-8-11,13(17)18)16-12-5-6-12/h11-12,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyVMMVRGFQQARAEC-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.19
Rot. Bonds5

About 1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid

1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 43754485) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
PubChem CID43754485
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
SMILESCCC(C)(C)C1CCC(NC2CC2)(C(=O)O)CC1
InChIInChI=1S/C15H27NO2/c1-4-14(2,3)11-7-9-15(10-8-11,13(17)18)16-12-5-6-12/h11-12,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyVMMVRGFQQARAEC-UHFFFAOYSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(butan-2-ylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 61024663
[1-(cyclopentylamino)-4-(2-methylbutan-2-yl)cyclohexyl]methanol
CID 61054767
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451
4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 60795512
1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid
CID 82237604
1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 81167483
methyl 1-amino-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate
CID 60797220
3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid
CID 43701247
1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 62704491
4-(cyclopentylamino)-1-ethylpiperidine-4-carboxylic acid
CID 54894276
methyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate
CID 61002750
4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 13150786

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid (CID 43754485) is 1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid is CCC(C)(C)C1CCC(NC2CC2)(C(=O)O)CC1.
What is the InChIKey of 1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is VMMVRGFQQARAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-14(2,3)11-7-9-15(10-8-11,13(17)18)16-12-5-6-12/h11-12,16H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43754485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).