1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid

C13H23NO2 — CID 61001600

IUPAC1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NCC2CC2)(C(=O)O)CC1
InChIInChI=1S/C13H23NO2/c1-2-10-5-7-13(8-6-10,12(15)16)14-9-11-3-4-11/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyRSJTUPAWHRVDKQ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.41
Rot. Bonds5

About 1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid

1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid (PubChem CID 61001600) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
PubChem CID61001600
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NCC2CC2)(C(=O)O)CC1
InChIInChI=1S/C13H23NO2/c1-2-10-5-7-13(8-6-10,12(15)16)14-9-11-3-4-11/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyRSJTUPAWHRVDKQ-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
[1-(cyclopropylmethylamino)-4-ethylcyclohexyl]methanol
CID 61056029
1-[(2,2-dimethylcyclopropyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 115000464
methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate
CID 60787527
1-(cyclopropylsulfonylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 64552398
3-(cyclopropylmethylamino)oxolane-3-carboxylic acid
CID 63333220
4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 43163264
1-[bis(prop-2-enyl)carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 61192726
1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid
CID 106873087
4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 62845996
1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61195802
4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid
CID 43341491

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid (CID 61001600) is 1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid is CCC1CCC(NCC2CC2)(C(=O)O)CC1.
What is the InChIKey of 1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid?
The InChIKey is RSJTUPAWHRVDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-10-5-7-13(8-6-10,12(15)16)14-9-11-3-4-11/h10-11,14H,2-9H2,1H3,(H,15,16).
What are the key properties of 1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid?
1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61001600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).