N-[[1-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine

C14H30N4 — CID 63897637

IUPACN-[[1-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(CC2CN(C)CCN2C)C1
InChIInChI=1S/C14H30N4/c1-4-15-9-13-5-6-18(10-13)12-14-11-16(2)7-8-17(14)3/h13-15H,4-12H2,1-3H3
InChIKeyLYFFOVYPIAWMTO-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.16
Rot. Bonds5

About N-[[1-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine

N-[[1-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 63897637) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[1-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
PubChem CID63897637
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC NameN-[[1-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(CC2CN(C)CCN2C)C1
InChIInChI=1S/C14H30N4/c1-4-15-9-13-5-6-18(10-13)12-14-11-16(2)7-8-17(14)3/h13-15H,4-12H2,1-3H3
InChIKeyLYFFOVYPIAWMTO-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-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 106019257
1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-amine
CID 63896354
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 63898158
N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine
CID 63227216
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855134
2-[4-(ethylaminomethyl)piperidin-1-yl]ethanol
CID 63588121
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethylpiperidin-4-amine
CID 63896493
N-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 121359030
N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513081
1-[[3-(ethylaminomethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83114104
N-[2-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopentanamine
CID 63318531
N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 66409309

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine (CID 63897637) is N-[[1-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(CC2CN(C)CCN2C)C1.
What is the InChIKey of N-[[1-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is LYFFOVYPIAWMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-4-15-9-13-5-6-18(10-13)12-14-11-16(2)7-8-17(14)3/h13-15H,4-12H2,1-3H3.
What are the key properties of N-[[1-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrolidin-3-yl]methyl]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-[[1-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 63897637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).