1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine

C16H29N3 — CID 66412732

IUPAC1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine
SMILESCCCCN1CCC(NCc2cccn2CC)CC1
InChIInChI=1S/C16H29N3/c1-3-5-10-18-12-8-15(9-13-18)17-14-16-7-6-11-19(16)4-2/h6-7,11,15,17H,3-5,8-10,12-14H2,1-2H3
InChIKeyQMGRGVVMZIDPAK-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.86
Rot. Bonds7

About 1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine

1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine (PubChem CID 66412732) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine
PubChem CID66412732
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine
SMILESCCCCN1CCC(NCc2cccn2CC)CC1
InChIInChI=1S/C16H29N3/c1-3-5-10-18-12-8-15(9-13-18)17-14-16-7-6-11-19(16)4-2/h6-7,11,15,17H,3-5,8-10,12-14H2,1-2H3
InChIKeyQMGRGVVMZIDPAK-UHFFFAOYSA-N
XLogP2.86
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 66412458
N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine
CID 66411275
N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine
CID 66410893
N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine
CID 66402783
1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine
CID 66133818
1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 62350120
N-[(1-ethylpyrrol-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 66443243
2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66411363
N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122687
4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine
CID 66412264
N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66411136
N-[(1-ethylpyrrol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 66411888

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine (CID 66412732) is 1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine is CCCCN1CCC(NCc2cccn2CC)CC1.
What is the InChIKey of 1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine?
The InChIKey is QMGRGVVMZIDPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-5-10-18-12-8-15(9-13-18)17-14-16-7-6-11-19(16)4-2/h6-7,11,15,17H,3-5,8-10,12-14H2,1-2H3.
What are the key properties of 1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine?
1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine has a molecular weight of 263.43 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 66412732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).