N,N-dimethyl-2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanamine

C14H30N4 — CID 79383942

IUPACN,N-dimethyl-2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanamine
SMILESCC1NCCC1CN1CCN(CCN(C)C)CC1
InChIInChI=1S/C14H30N4/c1-13-14(4-5-15-13)12-18-10-8-17(9-11-18)7-6-16(2)3/h13-15H,4-12H2,1-3H3
InChIKeyVSSLDJRKVNYIDE-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.16
Rot. Bonds5

About N,N-dimethyl-2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanamine

N,N-dimethyl-2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanamine (PubChem CID 79383942) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanamine
PubChem CID79383942
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC NameN,N-dimethyl-2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanamine
SMILESCC1NCCC1CN1CCN(CCN(C)C)CC1
InChIInChI=1S/C14H30N4/c1-13-14(4-5-15-13)12-18-10-8-17(9-11-18)7-6-16(2)3/h13-15H,4-12H2,1-3H3
InChIKeyVSSLDJRKVNYIDE-UHFFFAOYSA-N
XLogP0.16
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methylpyrrolidin-3-yl)methyl]azocane
CID 79385329
4-tert-butyl-1-[(2-methylpyrrolidin-3-yl)methyl]piperidine
CID 79384453
2-methyl-3-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidine
CID 79384640
N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine
CID 62887185
1-[(2-methylpyrrolidin-3-yl)methyl]-4-piperidin-1-ylpiperidine
CID 79384542
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine
CID 62888860
4-[(2-methylpyrrolidin-3-yl)methyl]-1,4-oxazepane
CID 79384136
1-methyl-6-[(2-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199045
2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 79533305
N,N,N'-trimethyl-N'-[(2-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 79384952
2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887962
2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 79385029

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanamine (CID 79383942) is N,N-dimethyl-2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanamine is CC1NCCC1CN1CCN(CCN(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanamine?
The InChIKey is VSSLDJRKVNYIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-13-14(4-5-15-13)12-18-10-8-17(9-11-18)7-6-16(2)3/h13-15H,4-12H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanamine?
N,N-dimethyl-2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanamine has a molecular weight of 254.42 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 79383942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).