5,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4H-pyridin-2-amine

C14H26N4 — CID 137383021

IUPAC5,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4H-pyridin-2-amine
SMILESCN1CCN(CCNC2=CCC(C)(C)C=N2)CC1
InChIInChI=1S/C14H26N4/c1-14(2)5-4-13(16-12-14)15-6-7-18-10-8-17(3)9-11-18/h4,12,15H,5-11H2,1-3H3
InChIKeyIPSMJWSCLCUGCF-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.17
Rot. Bonds4

About 5,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4H-pyridin-2-amine

5,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4H-pyridin-2-amine (PubChem CID 137383021) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 5,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4H-pyridin-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4H-pyridin-2-amine
PubChem CID137383021
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name5,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4H-pyridin-2-amine
SMILESCN1CCN(CCNC2=CCC(C)(C)C=N2)CC1
InChIInChI=1S/C14H26N4/c1-14(2)5-4-13(16-12-14)15-6-7-18-10-8-17(3)9-11-18/h4,12,15H,5-11H2,1-3H3
InChIKeyIPSMJWSCLCUGCF-UHFFFAOYSA-N
XLogP1.17
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-Dihydropyridin-6-yl)piperazine
CID 89109754
1-(3-Methyl-3,4-dihydropyridin-6-yl)piperazine
CID 89113427
1-Methyl-4-piperazin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 89829239
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyridin-6-amine
CID 137383051
(Z)-N-[(Z)-1-piperazin-1-ylbut-1-enyl]butan-1-imine
CID 142486513
N'-ethyl-N'-methyl-N-[(3R)-3-methyl-3,4-dihydropyridin-6-yl]ethane-1,2-diamine
CID 144808668
1-(3-Ethyl-3,4-dihydropyridin-6-yl)piperazine
CID 163466421

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4H-pyridin-2-amine?
The IUPAC name of 5,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4H-pyridin-2-amine (CID 137383021) is 5,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4H-pyridin-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4H-pyridin-2-amine?
The canonical SMILES for 5,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4H-pyridin-2-amine is CN1CCN(CCNC2=CCC(C)(C)C=N2)CC1.
What is the InChIKey of 5,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4H-pyridin-2-amine?
The InChIKey is IPSMJWSCLCUGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-14(2)5-4-13(16-12-14)15-6-7-18-10-8-17(3)9-11-18/h4,12,15H,5-11H2,1-3H3.
What are the key properties of 5,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4H-pyridin-2-amine?
5,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4H-pyridin-2-amine has a molecular weight of 250.39 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4H-pyridin-2-amine is sourced from PubChem (CID 137383021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).