4-(2-aminoethyl)-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide

C13H21N3O — CID 115151082

IUPAC4-(2-aminoethyl)-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide
SMILESNCCC1CCC(C(=O)Nc2cc[nH]c2)CC1
InChIInChI=1S/C13H21N3O/c14-7-5-10-1-3-11(4-2-10)13(17)16-12-6-8-15-9-12/h6,8-11,15H,1-5,7,14H2,(H,16,17)
InChIKeyFZWVXAUWVJHJCM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.11
Rot. Bonds4

About 4-(2-aminoethyl)-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide

4-(2-aminoethyl)-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide (PubChem CID 115151082) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide
PubChem CID115151082
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(2-aminoethyl)-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide
SMILESNCCC1CCC(C(=O)Nc2cc[nH]c2)CC1
InChIInChI=1S/C13H21N3O/c14-7-5-10-1-3-11(4-2-10)13(17)16-12-6-8-15-9-12/h6,8-11,15H,1-5,7,14H2,(H,16,17)
InChIKeyFZWVXAUWVJHJCM-UHFFFAOYSA-N
XLogP2.11
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide
CID 115151099
N-(1H-pyrrol-3-yl)pyrrolidine-2-carboxamide
CID 115159173
N-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane
CID 159362022
N-(6-oxo-1H-pyridin-3-yl)cyclopropanecarboxamide
CID 110724856
1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide
CID 115448437
4-[(4-butylcyclohexanecarbonyl)amino]benzamide
CID 8884677
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide
CID 61254205
4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 64792837
4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 60847830
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide
CID 115151086

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide (CID 115151082) is 4-(2-aminoethyl)-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide is NCCC1CCC(C(=O)Nc2cc[nH]c2)CC1.
What is the InChIKey of 4-(2-aminoethyl)-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide?
The InChIKey is FZWVXAUWVJHJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-7-5-10-1-3-11(4-2-10)13(17)16-12-6-8-15-9-12/h6,8-11,15H,1-5,7,14H2,(H,16,17).
What are the key properties of 4-(2-aminoethyl)-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide?
4-(2-aminoethyl)-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115151082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).