1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine

C15H27N3 — CID 66444793

IUPAC1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine
SMILESCCN1CCC(CNCc2cccn2CC)CC1
InChIInChI=1S/C15H27N3/c1-3-17-10-7-14(8-11-17)12-16-13-15-6-5-9-18(15)4-2/h5-6,9,14,16H,3-4,7-8,10-13H2,1-2H3
InChIKeyYDGKMEQJDOCHPX-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.33
Rot. Bonds6

About 1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine

1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine (PubChem CID 66444793) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine
PubChem CID66444793
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine
SMILESCCN1CCC(CNCc2cccn2CC)CC1
InChIInChI=1S/C15H27N3/c1-3-17-10-7-14(8-11-17)12-16-13-15-6-5-9-18(15)4-2/h5-6,9,14,16H,3-4,7-8,10-13H2,1-2H3
InChIKeyYDGKMEQJDOCHPX-UHFFFAOYSA-N
XLogP2.33
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 66413133
1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
CID 66444599
2-[[(1-ethylpyrrol-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 66444428
N-[(1-ethylpyrrol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353222
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline
CID 66417480
1-(1-ethylpiperidin-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 112650123
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]methanamine
CID 65457568
1-(1-ethylpiperidin-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 113243107
[5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]furan-2-yl]methanol
CID 64592569
N-[(1-ethylpyrrol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 66411888
1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine
CID 66412732
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402341

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine (CID 66444793) is 1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine is CCN1CCC(CNCc2cccn2CC)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine?
The InChIKey is YDGKMEQJDOCHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-17-10-7-14(8-11-17)12-16-13-15-6-5-9-18(15)4-2/h5-6,9,14,16H,3-4,7-8,10-13H2,1-2H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine?
1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine has a molecular weight of 249.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine is sourced from PubChem (CID 66444793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).