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

C15H33N3 — CID 63610034

IUPACN-propyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine
SMILESCCCNC(CCC)CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C15H33N3/c1-6-8-14(16-9-7-2)12-18-11-10-17(5)15(3,4)13-18/h14,16H,6-13H2,1-5H3
InChIKeyKRRDBCNVXRLJJO-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds7

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

N-propyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine (PubChem CID 63610034) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-propyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine
PubChem CID63610034
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN-propyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine
SMILESCCCNC(CCC)CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C15H33N3/c1-6-8-14(16-9-7-2)12-18-11-10-17(5)15(3,4)13-18/h14,16H,6-13H2,1-5H3
InChIKeyKRRDBCNVXRLJJO-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

2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol
CID 64791406
N-[1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]propan-1-amine
CID 63913711
2-(propylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanenitrile
CID 63634360
N-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine
CID 63611239
1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine
CID 63468589
1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine
CID 63468229
1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine
CID 107391840
1-(8-azaspiro[4.5]decan-8-yl)-N-propylpentan-2-amine
CID 63469319
N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine
CID 63610035
(2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol
CID 130572077
1-(3,5-dimethylpiperidin-1-yl)-N-propylpentan-2-amine
CID 62042262
N,N-dimethyl-1-[2-(propylamino)pentyl]piperidin-4-amine
CID 62043146

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine?
The IUPAC name of N-propyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine (CID 63610034) is N-propyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine.
What is the SMILES notation for N-propyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine?
The canonical SMILES for N-propyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine is CCCNC(CCC)CN1CCN(C)C(C)(C)C1.
What is the InChIKey of N-propyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine?
The InChIKey is KRRDBCNVXRLJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-8-14(16-9-7-2)12-18-11-10-17(5)15(3,4)13-18/h14,16H,6-13H2,1-5H3.
What are the key properties of N-propyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine?
N-propyl-1-(3,3,4-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-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine is sourced from PubChem (CID 63610034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).