1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide

C15H25N3O — CID 106390779

IUPAC1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide
SMILESCn1ccc(CNC(=O)C2(CN)CCCCCC2)c1
InChIInChI=1S/C15H25N3O/c1-18-9-6-13(11-18)10-17-14(19)15(12-16)7-4-2-3-5-8-15/h6,9,11H,2-5,7-8,10,12,16H2,1H3,(H,17,19)
InChIKeyNRKPQRQJQUITFL-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.94
Rot. Bonds4

About 1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide

1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide (PubChem CID 106390779) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide
PubChem CID106390779
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide
SMILESCn1ccc(CNC(=O)C2(CN)CCCCCC2)c1
InChIInChI=1S/C15H25N3O/c1-18-9-6-13(11-18)10-17-14(19)15(12-16)7-4-2-3-5-8-15/h6,9,11H,2-5,7-8,10,12,16H2,1H3,(H,17,19)
InChIKeyNRKPQRQJQUITFL-UHFFFAOYSA-N
XLogP1.94
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide
CID 106390797
N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 106390774
4-[[[1-(aminomethyl)cyclohexanecarbonyl]amino]methyl]benzoic acid
CID 115437664
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
CID 113311558
1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 115437615
1-[(1-methylpyrrol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 82286606
1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide
CID 115183513
1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
CID 81489545
1-(aminomethyl)-N-[(3-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119705750
N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106390785
1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 119699538
1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide
CID 106416507

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide (CID 106390779) is 1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide is Cn1ccc(CNC(=O)C2(CN)CCCCCC2)c1.
What is the InChIKey of 1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide?
The InChIKey is NRKPQRQJQUITFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-18-9-6-13(11-18)10-17-14(19)15(12-16)7-4-2-3-5-8-15/h6,9,11H,2-5,7-8,10,12,16H2,1H3,(H,17,19).
What are the key properties of 1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide?
1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 106390779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).