3-(aminomethyl)pentan-3-ol;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine

C15H36N4O — CID 67737589

IUPAC3-(aminomethyl)pentan-3-ol;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCCC(O)(CC)CN.CN(C)CCN1CCN(C)CC1
InChIInChI=1S/C9H21N3.C6H15NO/c1-10(2)4-7-12-8-5-11(3)6-9-12;1-3-6(8,4-2)5-7/h4-9H2,1-3H3;8H,3-5,7H2,1-2H3
InChIKeyGMGVEILJZPVJFM-UHFFFAOYSA-N
MW288.48 g/mol
LogP0.29
Rot. Bonds6

About 3-(aminomethyl)pentan-3-ol;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine

3-(aminomethyl)pentan-3-ol;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 67737589) has the molecular formula C15H36N4O and a molecular weight of 288.48 g/mol. Its IUPAC name is 3-(aminomethyl)pentan-3-ol;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name3-(aminomethyl)pentan-3-ol;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID67737589
Molecular FormulaC15H36N4O
Molecular Weight288.48 g/mol
Exact Mass288.29
IUPAC Name3-(aminomethyl)pentan-3-ol;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCCC(O)(CC)CN.CN(C)CCN1CCN(C)CC1
InChIInChI=1S/C9H21N3.C6H15NO/c1-10(2)4-7-12-8-5-11(3)6-9-12;1-3-6(8,4-2)5-7/h4-9H2,1-3H3;8H,3-5,7H2,1-2H3
InChIKeyGMGVEILJZPVJFM-UHFFFAOYSA-N
XLogP0.29
TPSA55.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine
CID 82889191
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-1-amine
CID 62885409
1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol
CID 64820717
N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine
CID 62886088
N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 145302362
1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane
CID 166169560
3-(aminomethyl)-6-(azepan-1-yl)hexan-3-ol
CID 106811372
1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 64819199
2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 55163623
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine
CID 65296194

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)pentan-3-ol;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 3-(aminomethyl)pentan-3-ol;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine (CID 67737589) is 3-(aminomethyl)pentan-3-ol;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 3-(aminomethyl)pentan-3-ol;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 3-(aminomethyl)pentan-3-ol;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine is CCC(O)(CC)CN.CN(C)CCN1CCN(C)CC1.
What is the InChIKey of 3-(aminomethyl)pentan-3-ol;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is GMGVEILJZPVJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.C6H15NO/c1-10(2)4-7-12-8-5-11(3)6-9-12;1-3-6(8,4-2)5-7/h4-9H2,1-3H3;8H,3-5,7H2,1-2H3.
What are the key properties of 3-(aminomethyl)pentan-3-ol;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine?
3-(aminomethyl)pentan-3-ol;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 288.48 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)pentan-3-ol;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 67737589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).