2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine

C16H29N5 — CID 104822275

IUPAC2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(CN)N2CCN(CCN(C)C)CC2)cn1
InChIInChI=1S/C16H29N5/c1-14-4-5-15(13-18-14)16(12-17)21-10-8-20(9-11-21)7-6-19(2)3/h4-5,13,16H,6-12,17H2,1-3H3
InChIKeyVYTAAHZRCOVXOD-UHFFFAOYSA-N
MW291.44 g/mol
LogP0.57
Rot. Bonds6

About 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine

2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine (PubChem CID 104822275) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
PubChem CID104822275
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(CN)N2CCN(CCN(C)C)CC2)cn1
InChIInChI=1S/C16H29N5/c1-14-4-5-15(13-18-14)16(12-17)21-10-8-20(9-11-21)7-6-19(2)3/h4-5,13,16H,6-12,17H2,1-3H3
InChIKeyVYTAAHZRCOVXOD-UHFFFAOYSA-N
XLogP0.57
TPSA48.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822203
2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 113457077
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822217
2-[4-(methoxymethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822316
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 107454005
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822114
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822274
2-(3-bromothiophen-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine
CID 115380421
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine
CID 62885238
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine
CID 79408430
2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine
CID 134406832
2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 62776010

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine (CID 104822275) is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine is Cc1ccc(C(CN)N2CCN(CCN(C)C)CC2)cn1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine?
The InChIKey is VYTAAHZRCOVXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-14-4-5-15(13-18-14)16(12-17)21-10-8-20(9-11-21)7-6-19(2)3/h4-5,13,16H,6-12,17H2,1-3H3.
What are the key properties of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine?
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine has a molecular weight of 291.44 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 104822275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).