1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine

C15H26N2 — CID 66397562

IUPAC1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine
SMILESCCCn1ccc(CNCC2CCCCC2)c1
InChIInChI=1S/C15H26N2/c1-2-9-17-10-8-15(13-17)12-16-11-14-6-4-3-5-7-14/h8,10,13-14,16H,2-7,9,11-12H2,1H3
InChIKeyTXMWNOGPGIGJJT-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.57
Rot. Bonds6

About 1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine

1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine (PubChem CID 66397562) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine
PubChem CID66397562
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine
SMILESCCCn1ccc(CNCC2CCCCC2)c1
InChIInChI=1S/C15H26N2/c1-2-9-17-10-8-15(13-17)12-16-11-14-6-4-3-5-7-14/h8,10,13-14,16H,2-7,9,11-12H2,1H3
InChIKeyTXMWNOGPGIGJJT-UHFFFAOYSA-N
XLogP3.57
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66414583
1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66415974
N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66414021
2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66416757
3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol
CID 66414820
4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine
CID 66416546
N-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66416369
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 107913082
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66399030
N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine
CID 66405314
3-[(1-propylpyrrol-3-yl)methylamino]propanenitrile
CID 66399043

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine (CID 66397562) is 1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine is CCCn1ccc(CNCC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine?
The InChIKey is TXMWNOGPGIGJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-9-17-10-8-15(13-17)12-16-11-14-6-4-3-5-7-14/h8,10,13-14,16H,2-7,9,11-12H2,1H3.
What are the key properties of 1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine?
1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine has a molecular weight of 234.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine is sourced from PubChem (CID 66397562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).