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

C14H30N4 — CID 63274337

IUPAC2-(1,4-diazepan-1-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCN1CCC(CN(C)CCN2CCCNCC2)C1
InChIInChI=1S/C14H30N4/c1-16-8-4-14(12-16)13-17(2)10-11-18-7-3-5-15-6-9-18/h14-15H,3-13H2,1-2H3
InChIKeyXVEZPHCHHDAYHV-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.17
Rot. Bonds5

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

2-(1,4-diazepan-1-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 63274337) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID63274337
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name2-(1,4-diazepan-1-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCN1CCC(CN(C)CCN2CCCNCC2)C1
InChIInChI=1S/C14H30N4/c1-16-8-4-14(12-16)13-17(2)10-11-18-7-3-5-15-6-9-18/h14-15H,3-13H2,1-2H3
InChIKeyXVEZPHCHHDAYHV-UHFFFAOYSA-N
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylethanamine
CID 63236887
N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 62860620
N-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine
CID 115230110
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 63274728
N-(cyclopentylmethyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 115230585
1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105421291
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-piperazin-1-ylethanamine
CID 79182703
2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887962
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol
CID 79360191
3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63274032
N,N-dimethyl-1-[[methyl(2-piperazin-1-ylethyl)amino]methyl]cyclobutan-1-amine
CID 105414842
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine
CID 81045714

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine (CID 63274337) is 2-(1,4-diazepan-1-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine is CN1CCC(CN(C)CCN2CCCNCC2)C1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is XVEZPHCHHDAYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-16-8-4-14(12-16)13-17(2)10-11-18-7-3-5-15-6-9-18/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
2-(1,4-diazepan-1-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 254.42 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 63274337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).