N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine

C15H33N3 — CID 114537915

IUPACN-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
SMILESCCCNC(C)CCCN1CC(C)N(C)C(C)C1
InChIInChI=1S/C15H33N3/c1-6-9-16-13(2)8-7-10-18-11-14(3)17(5)15(4)12-18/h13-16H,6-12H2,1-5H3
InChIKeyCMTMFENFMYGWQD-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds7

About N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine

N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine (PubChem CID 114537915) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine.

Molecular Properties

Compound NameN-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
PubChem CID114537915
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
SMILESCCCNC(C)CCCN1CC(C)N(C)C(C)C1
InChIInChI=1S/C15H33N3/c1-6-9-16-13(2)8-7-10-18-11-14(3)17(5)15(4)12-18/h13-16H,6-12H2,1-5H3
InChIKeyCMTMFENFMYGWQD-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-1,2,6-trimethylpiperazine
CID 126991132
N,N,4-trimethyl-1-[5-(propylamino)hexyl]pyrrolidin-3-amine
CID 81465461
5-(3-ethyl-4-methylpiperazin-1-yl)-N-propylpentan-2-amine
CID 63608601
4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine
CID 114539613
N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)hexan-3-amine
CID 106800125
4-methyl-1-[4-(propylamino)pentyl]piperidine-2,6-dione
CID 79506055
5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114537725
2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114538952
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-propylbutan-2-amine
CID 115559484
1-methoxy-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]propan-2-amine
CID 114540325
5-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpentan-2-amine
CID 63169783
N,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
CID 81463851

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine?
The IUPAC name of N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine (CID 114537915) is N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine.
What is the SMILES notation for N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine?
The canonical SMILES for N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine is CCCNC(C)CCCN1CC(C)N(C)C(C)C1.
What is the InChIKey of N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine?
The InChIKey is CMTMFENFMYGWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-9-16-13(2)8-7-10-18-11-14(3)17(5)15(4)12-18/h13-16H,6-12H2,1-5H3.
What are the key properties of N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine?
N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine is sourced from PubChem (CID 114537915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).