2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine

C12H27N3 — CID 62263340

IUPAC2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine
SMILESCCCN1CCN(CC(C)(C)CN)CC1
InChIInChI=1S/C12H27N3/c1-4-5-14-6-8-15(9-7-14)11-12(2,3)10-13/h4-11,13H2,1-3H3
InChIKeyZKJPJAWYEPUXTO-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.00
Rot. Bonds5

About 2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine

2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine (PubChem CID 62263340) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine
PubChem CID62263340
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine
SMILESCCCN1CCN(CC(C)(C)CN)CC1
InChIInChI=1S/C12H27N3/c1-4-5-14-6-8-15(9-7-14)11-12(2,3)10-13/h4-11,13H2,1-3H3
InChIKeyZKJPJAWYEPUXTO-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine
CID 79812652
4-(4-ethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine
CID 65249831
2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol
CID 114495323
2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
CID 63004531
3-(4-cyclopentylpiperazin-1-yl)-2,2-dimethylpropan-1-amine
CID 62369809
2,2-dimethyl-3-(4-propylpiperazin-1-yl)propanal
CID 62278455
1-tert-butyl-4-propylpiperazine
CID 58721754
1-(3-amino-2,2-dimethylpropyl)-4-methylpiperidin-4-ol
CID 81115275
2,4-dimethyl-2-(4-propylpiperazin-1-yl)pentan-1-amine
CID 24705230
3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropan-1-amine
CID 55156710
2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol
CID 62270175
1-propyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 176694162

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine (CID 62263340) is 2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine is CCCN1CCN(CC(C)(C)CN)CC1.
What is the InChIKey of 2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine?
The InChIKey is ZKJPJAWYEPUXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-5-14-6-8-15(9-7-14)11-12(2,3)10-13/h4-11,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine?
2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 62263340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).