4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide

C15H25N3O — CID 66412930

IUPAC4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide
SMILESCCCn1cccc1CNC1CCC(C(N)=O)CC1
InChIInChI=1S/C15H25N3O/c1-2-9-18-10-3-4-14(18)11-17-13-7-5-12(6-8-13)15(16)19/h3-4,10,12-13,17H,2,5-9,11H2,1H3,(H2,16,19)
InChIKeySHFCWTMPDPUTRG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.03
Rot. Bonds6

About 4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide

4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide (PubChem CID 66412930) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide
PubChem CID66412930
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide
SMILESCCCn1cccc1CNC1CCC(C(N)=O)CC1
InChIInChI=1S/C15H25N3O/c1-2-9-18-10-3-4-14(18)11-17-13-7-5-12(6-8-13)15(16)19/h3-4,10,12-13,17H,2,5-9,11H2,1H3,(H2,16,19)
InChIKeySHFCWTMPDPUTRG-UHFFFAOYSA-N
XLogP2.03
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine
CID 66412264
2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66411363
N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine
CID 66402783
methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate
CID 66401619
N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66411136
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol
CID 66401036
N-[(1-propylpyrrol-2-yl)methyl]thiolan-3-amine
CID 103062608
N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 66412458
N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide
CID 79394241
N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402201
N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 82928473
tert-butyl 3-[(1-propylpyrrol-2-yl)methylamino]piperidine-1-carboxylate
CID 107241480

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide (CID 66412930) is 4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide is CCCn1cccc1CNC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide?
The InChIKey is SHFCWTMPDPUTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-9-18-10-3-4-14(18)11-17-13-7-5-12(6-8-13)15(16)19/h3-4,10,12-13,17H,2,5-9,11H2,1H3,(H2,16,19).
What are the key properties of 4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide?
4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 66412930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).