2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine

C14H26N4 — CID 116907376

IUPAC2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine
SMILESCN(C)C(c1cc[nH]c1)C1CCN(CCN)CC1
InChIInChI=1S/C14H26N4/c1-17(2)14(13-3-7-16-11-13)12-4-8-18(9-5-12)10-6-15/h3,7,11-12,14,16H,4-6,8-10,15H2,1-2H3
InChIKeyTWYJTFFKOGPLMQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.29
Rot. Bonds5

About 2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine

2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine (PubChem CID 116907376) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine
PubChem CID116907376
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine
SMILESCN(C)C(c1cc[nH]c1)C1CCN(CCN)CC1
InChIInChI=1S/C14H26N4/c1-17(2)14(13-3-7-16-11-13)12-4-8-18(9-5-12)10-6-15/h3,7,11-12,14,16H,4-6,8-10,15H2,1-2H3
InChIKeyTWYJTFFKOGPLMQ-UHFFFAOYSA-N
XLogP1.29
TPSA48.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[dimethylamino(pyridin-3-yl)methyl]piperidin-1-yl]ethanamine
CID 116907378
3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine
CID 116907314
2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine
CID 116907385
N,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116905378
1-(2-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 117041756
1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine
CID 117038230
2-(3-benzhydrylpyrrolidin-1-yl)ethanamine
CID 131855350
1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine
CID 116952523
2-(4-methylpiperidin-1-yl)ethanamine;propane
CID 142306647
N,N-dimethyl-2-piperidin-4-yl-2-(1H-pyrrol-3-yl)ethanamine
CID 116825058
2-[4-(4-ethylphenyl)piperidin-1-yl]ethanamine
CID 82128932
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine
CID 116913048

Frequently Asked Questions

What is the IUPAC name of 2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine (CID 116907376) is 2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine is CN(C)C(c1cc[nH]c1)C1CCN(CCN)CC1.
What is the InChIKey of 2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine?
The InChIKey is TWYJTFFKOGPLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-17(2)14(13-3-7-16-11-13)12-4-8-18(9-5-12)10-6-15/h3,7,11-12,14,16H,4-6,8-10,15H2,1-2H3.
What are the key properties of 2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine?
2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine has a molecular weight of 250.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 116907376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).