(4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate

C16H26N2O2 — CID 64776292

IUPAC(4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCCC1CCC(OC(=O)c2cc(N)cn2C(C)C)CC1
InChIInChI=1S/C16H26N2O2/c1-4-12-5-7-14(8-6-12)20-16(19)15-9-13(17)10-18(15)11(2)3/h9-12,14H,4-8,17H2,1-3H3
InChIKeyPRFLESCFJAGYIT-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.78
Rot. Bonds4

About (4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate

(4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate (PubChem CID 64776292) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate
PubChem CID64776292
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCCC1CCC(OC(=O)c2cc(N)cn2C(C)C)CC1
InChIInChI=1S/C16H26N2O2/c1-4-12-5-7-14(8-6-12)20-16(19)15-9-13(17)10-18(15)11(2)3/h9-12,14H,4-8,17H2,1-3H3
InChIKeyPRFLESCFJAGYIT-UHFFFAOYSA-N
XLogP3.78
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61309615
ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 45089372
2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 114157735
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61488584
(2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61317213
[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61315301
[3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 62627964
cyclopentyl 4-amino-1-methylpyrrole-2-carboxylate
CID 61309814
2-(2-hydroxyethoxy)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61316444
4-methylpentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61310055
(4-ethylcyclohexyl) 5-amino-1-benzothiophene-2-carboxylate
CID 64776497
(4-amino-1-propan-2-ylpyrrol-2-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835088

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The IUPAC name of (4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate (CID 64776292) is (4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate.
What is the SMILES notation for (4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The canonical SMILES for (4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate is CCC1CCC(OC(=O)c2cc(N)cn2C(C)C)CC1.
What is the InChIKey of (4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The InChIKey is PRFLESCFJAGYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-12-5-7-14(8-6-12)20-16(19)15-9-13(17)10-18(15)11(2)3/h9-12,14H,4-8,17H2,1-3H3.
What are the key properties of (4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
(4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate has a molecular weight of 278.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate is sourced from PubChem (CID 64776292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).