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

C17H26N4 — CID 83210929

IUPACN-methyl-2-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCCCn1cncc1Cn1cc2c(c1)C(NC)CCCC2
InChIInChI=1S/C17H26N4/c1-3-8-21-13-19-9-15(21)11-20-10-14-6-4-5-7-17(18-2)16(14)12-20/h9-10,12-13,17-18H,3-8,11H2,1-2H3
InChIKeyCTGHEQHQELUVFL-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.13
Rot. Bonds5

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

N-methyl-2-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 83210929) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-methyl-2-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID83210929
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-methyl-2-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCCCn1cncc1Cn1cc2c(c1)C(NC)CCCC2
InChIInChI=1S/C17H26N4/c1-3-8-21-13-19-9-15(21)11-20-10-14-6-4-5-7-17(18-2)16(14)12-20/h9-10,12-13,17-18H,3-8,11H2,1-2H3
InChIKeyCTGHEQHQELUVFL-UHFFFAOYSA-N
XLogP3.13
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of N-methyl-2-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 83210929) is N-methyl-2-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for N-methyl-2-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for N-methyl-2-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is CCCn1cncc1Cn1cc2c(c1)C(NC)CCCC2.
What is the InChIKey of N-methyl-2-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is CTGHEQHQELUVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-8-21-13-19-9-15(21)11-20-10-14-6-4-5-7-17(18-2)16(14)12-20/h9-10,12-13,17-18H,3-8,11H2,1-2H3.
What are the key properties of N-methyl-2-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
N-methyl-2-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 286.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83210929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).