2-amino-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide

C14H23N3O — CID 106391099

IUPAC2-amino-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide
SMILESNC1CCCCCC1C(=O)NCCn1cccc1
InChIInChI=1S/C14H23N3O/c15-13-7-3-1-2-6-12(13)14(18)16-8-11-17-9-4-5-10-17/h4-5,9-10,12-13H,1-3,6-8,11,15H2,(H,16,18)
InChIKeyMVHMDJLDFREKDK-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.51
Rot. Bonds4

About 2-amino-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide

2-amino-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide (PubChem CID 106391099) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-amino-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide
PubChem CID106391099
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-amino-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide
SMILESNC1CCCCCC1C(=O)NCCn1cccc1
InChIInChI=1S/C14H23N3O/c15-13-7-3-1-2-6-12(13)14(18)16-8-11-17-9-4-5-10-17/h4-5,9-10,12-13H,1-3,6-8,11,15H2,(H,16,18)
InChIKeyMVHMDJLDFREKDK-UHFFFAOYSA-N
XLogP1.51
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 64823304
2-amino-N-(2-fluoroethyl)cyclohexane-1-carboxamide
CID 130504072
2-amino-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide
CID 62777345
2-amino-N-[2-(methylsulfamoyl)ethyl]cycloheptane-1-carboxamide
CID 106336914
2-amino-N-[3-(2-hydroxyethoxy)propyl]cycloheptane-1-carboxamide
CID 106310524
methyl 2-[2-[[(1S,2S)-2-aminocycloheptanecarbonyl]amino]ethylsulfanyl]acetate
CID 100632048
cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 69204145
methyl 2-[2-[[(1R,2R)-2-aminocycloheptanecarbonyl]amino]ethylsulfanyl]acetate
CID 100632064
2-amino-N-(4-hydroxybutyl)cyclopentane-1-carboxamide
CID 106842187
2-amino-N-(cyclohexylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119672519
2-amino-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221074
2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 62775948

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide (CID 106391099) is 2-amino-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide is NC1CCCCCC1C(=O)NCCn1cccc1.
What is the InChIKey of 2-amino-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide?
The InChIKey is MVHMDJLDFREKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c15-13-7-3-1-2-6-12(13)14(18)16-8-11-17-9-4-5-10-17/h4-5,9-10,12-13H,1-3,6-8,11,15H2,(H,16,18).
What are the key properties of 2-amino-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide?
2-amino-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 106391099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).