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

C13H27N3 — CID 63898738

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine
SMILESCC(NCC1CN(C)CCN1C)C1(C)CC1
InChIInChI=1S/C13H27N3/c1-11(13(2)5-6-13)14-9-12-10-15(3)7-8-16(12)4/h11-12,14H,5-10H2,1-4H3
InChIKeyLGEFZHMPWIRRPJ-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.01
Rot. Bonds4

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

N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine (PubChem CID 63898738) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine
PubChem CID63898738
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine
SMILESCC(NCC1CN(C)CCN1C)C1(C)CC1
InChIInChI=1S/C13H27N3/c1-11(13(2)5-6-13)14-9-12-10-15(3)7-8-16(12)4/h11-12,14H,5-10H2,1-4H3
InChIKeyLGEFZHMPWIRRPJ-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine
CID 114279927
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide
CID 63897621
1-(1-methylcyclopropyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 115717463
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 63896511
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
CID 63897620
N-(cyclohexylmethyl)-1-(1-methylcyclopropyl)ethanamine
CID 43371383
1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 103782974
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methylpropyl)thiourea
CID 113234145
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 63898158
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide
CID 154789742

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine (CID 63898738) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine is CC(NCC1CN(C)CCN1C)C1(C)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine?
The InChIKey is LGEFZHMPWIRRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11(13(2)5-6-13)14-9-12-10-15(3)7-8-16(12)4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine has a molecular weight of 225.38 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine is sourced from PubChem (CID 63898738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).