methyl 3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanoate

C16H26N2O2 — CID 83212592

IUPACmethyl 3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanoate
SMILESCCCNC1CCCCc2cn(CCC(=O)OC)cc21
InChIInChI=1S/C16H26N2O2/c1-3-9-17-15-7-5-4-6-13-11-18(12-14(13)15)10-8-16(19)20-2/h11-12,15,17H,3-10H2,1-2H3
InChIKeyJRWMAMWOOLPKHH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.82
Rot. Bonds6

About methyl 3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanoate

methyl 3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanoate (PubChem CID 83212592) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is methyl 3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanoate
PubChem CID83212592
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Namemethyl 3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanoate
SMILESCCCNC1CCCCc2cn(CCC(=O)OC)cc21
InChIInChI=1S/C16H26N2O2/c1-3-9-17-15-7-5-4-6-13-11-18(12-14(13)15)10-8-16(19)20-2/h11-12,15,17H,3-10H2,1-2H3
InChIKeyJRWMAMWOOLPKHH-UHFFFAOYSA-N
XLogP2.82
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanoate with MolForge

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Related Compounds

methyl 2-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetate
CID 83213418
N-methyl-3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanamide
CID 83213506
methyl 2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate
CID 83217246
2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83212672
methyl 4-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]butanoate
CID 83208652
methyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate
CID 83214267
N-(2-methoxyethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide
CID 83203970
N-(cyclopropylmethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide
CID 83203803
N-ethyl-2-hexyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208481
N-ethyl-2-octyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83211549
2-(cyclohexylmethyl)-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83216626
2-[(1-methyltriazol-4-yl)methyl]-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 107045599

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanoate?
The IUPAC name of methyl 3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanoate (CID 83212592) is methyl 3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanoate?
The canonical SMILES for methyl 3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanoate is CCCNC1CCCCc2cn(CCC(=O)OC)cc21.
What is the InChIKey of methyl 3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanoate?
The InChIKey is JRWMAMWOOLPKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-9-17-15-7-5-4-6-13-11-18(12-14(13)15)10-8-16(19)20-2/h11-12,15,17H,3-10H2,1-2H3.
What are the key properties of methyl 3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanoate?
methyl 3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanoate has a molecular weight of 278.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanoate is sourced from PubChem (CID 83212592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).