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

C16H27N3O — CID 83213506

IUPACN-methyl-3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanamide
SMILESCCCNC1CCCCc2cn(CCC(=O)NC)cc21
InChIInChI=1S/C16H27N3O/c1-3-9-18-15-7-5-4-6-13-11-19(12-14(13)15)10-8-16(20)17-2/h11-12,15,18H,3-10H2,1-2H3,(H,17,20)
InChIKeyRENLFYMOOOLCGT-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.39
Rot. Bonds6

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

N-methyl-3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanamide (PubChem CID 83213506) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanamide
PubChem CID83213506
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-methyl-3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanamide
SMILESCCCNC1CCCCc2cn(CCC(=O)NC)cc21
InChIInChI=1S/C16H27N3O/c1-3-9-18-15-7-5-4-6-13-11-19(12-14(13)15)10-8-16(20)17-2/h11-12,15,18H,3-10H2,1-2H3,(H,17,20)
InChIKeyRENLFYMOOOLCGT-UHFFFAOYSA-N
XLogP2.39
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanamide?
The IUPAC name of N-methyl-3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanamide (CID 83213506) is N-methyl-3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanamide.
What is the SMILES notation for N-methyl-3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanamide?
The canonical SMILES for N-methyl-3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanamide is CCCNC1CCCCc2cn(CCC(=O)NC)cc21.
What is the InChIKey of N-methyl-3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanamide?
The InChIKey is RENLFYMOOOLCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-9-18-15-7-5-4-6-13-11-19(12-14(13)15)10-8-16(20)17-2/h11-12,15,18H,3-10H2,1-2H3,(H,17,20).
What are the key properties of N-methyl-3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanamide?
N-methyl-3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanamide is sourced from PubChem (CID 83213506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).