2-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine

C12H27N3 — CID 79414609

IUPAC2-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine
SMILESCCCN1CCN(C(C)C(C)CN)CC1
InChIInChI=1S/C12H27N3/c1-4-5-14-6-8-15(9-7-14)12(3)11(2)10-13/h11-12H,4-10,13H2,1-3H3
InChIKeySBAGAXGYCVJMIH-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.00
Rot. Bonds5

About 2-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine

2-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine (PubChem CID 79414609) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine
PubChem CID79414609
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine
SMILESCCCN1CCN(C(C)C(C)CN)CC1
InChIInChI=1S/C12H27N3/c1-4-5-14-6-8-15(9-7-14)12(3)11(2)10-13/h11-12H,4-10,13H2,1-3H3
InChIKeySBAGAXGYCVJMIH-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

1-(3-methylheptan-2-yl)-4-propylpiperazine
CID 123651816
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine
CID 79408430
4-(4-propylpiperazin-1-yl)pentan-1-amine
CID 62423620
2-methyl-3-thiomorpholin-4-ylbutan-1-amine
CID 79414847
2-(4-hexylpiperazin-1-yl)propan-1-amine
CID 63340593
1-amino-4-(4-propylpiperazin-1-yl)butan-2-ol
CID 64820693
2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 62387025
1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol
CID 64820469
4-methoxy-4-methyl-2-(4-propylpiperazin-1-yl)pentan-1-amine
CID 106675511
2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine
CID 63069699
2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 112540388
2-(2-ethylphenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 62392807

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 2-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine (CID 79414609) is 2-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 2-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine is CCCN1CCN(C(C)C(C)CN)CC1.
What is the InChIKey of 2-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine?
The InChIKey is SBAGAXGYCVJMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-5-14-6-8-15(9-7-14)12(3)11(2)10-13/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 2-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine?
2-methyl-3-(4-propylpiperazin-1-yl)butan-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-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 79414609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).