N-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine

C14H30N4 — CID 115238510

IUPACN-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine
SMILESCN1CCC(CCN(C)CC2CNCCN2C)C1
InChIInChI=1S/C14H30N4/c1-16-7-4-13(11-16)5-8-17(2)12-14-10-15-6-9-18(14)3/h13-15H,4-12H2,1-3H3
InChIKeyQKUJYMNVXJCQSH-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.16
Rot. Bonds5

About N-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine

N-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine (PubChem CID 115238510) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine
PubChem CID115238510
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC NameN-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine
SMILESCN1CCC(CCN(C)CC2CNCCN2C)C1
InChIInChI=1S/C14H30N4/c1-16-7-4-13(11-16)5-8-17(2)12-14-10-15-6-9-18(14)3/h13-15H,4-12H2,1-3H3
InChIKeyQKUJYMNVXJCQSH-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

N'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine
CID 139528374
N,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine
CID 115239598
2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol
CID 115224443
N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine
CID 115239639
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255793
N,2-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]propan-1-amine
CID 115239559
4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one
CID 115240296
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 63274728
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-2-ylethanamine
CID 66426867
N-ethyl-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
CID 83828882
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylethanamine
CID 63236887
2-(1,4-diazepan-1-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 63274337

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine?
The IUPAC name of N-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine (CID 115238510) is N-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for N-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for N-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine is CN1CCC(CCN(C)CC2CNCCN2C)C1.
What is the InChIKey of N-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine?
The InChIKey is QKUJYMNVXJCQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-16-7-4-13(11-16)5-8-17(2)12-14-10-15-6-9-18(14)3/h13-15H,4-12H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine?
N-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-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-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 115238510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).