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

C15H26N2 — CID 66416369

IUPACN-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
SMILESCCCn1ccc(CNCC2(C)CCCC2)c1
InChIInChI=1S/C15H26N2/c1-3-9-17-10-6-14(12-17)11-16-13-15(2)7-4-5-8-15/h6,10,12,16H,3-5,7-9,11,13H2,1-2H3
InChIKeyPKPPKWAZVFRLFL-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.57
Rot. Bonds6

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

N-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine (PubChem CID 66416369) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
PubChem CID66416369
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
SMILESCCCn1ccc(CNCC2(C)CCCC2)c1
InChIInChI=1S/C15H26N2/c1-3-9-17-10-6-14(12-17)11-16-13-15(2)7-4-5-8-15/h6,10,12,16H,3-5,7-9,11,13H2,1-2H3
InChIKeyPKPPKWAZVFRLFL-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-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol
CID 103965890
1-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 66416766
N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 104759716
1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66397562
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
3-[(1-propylpyrrol-3-yl)methylamino]propanenitrile
CID 66399043
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66414995
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66399050
2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66416757

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine (CID 66416369) is N-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine is CCCn1ccc(CNCC2(C)CCCC2)c1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
The InChIKey is PKPPKWAZVFRLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-9-17-10-6-14(12-17)11-16-13-15(2)7-4-5-8-15/h6,10,12,16H,3-5,7-9,11,13H2,1-2H3.
What are the key properties of N-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
N-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)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 N-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine is sourced from PubChem (CID 66416369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).