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

C15H31N3O — CID 63610196

IUPACN-propyl-3-(3,3,4-trimethylpiperazin-1-yl)oxan-4-amine
SMILESCCCNC1CCOCC1N1CCN(C)C(C)(C)C1
InChIInChI=1S/C15H31N3O/c1-5-7-16-13-6-10-19-11-14(13)18-9-8-17(4)15(2,3)12-18/h13-14,16H,5-12H2,1-4H3
InChIKeyWODUXANGBYIRIX-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.17
Rot. Bonds4

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

N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)oxan-4-amine (PubChem CID 63610196) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)oxan-4-amine.

Molecular Properties

Compound NameN-propyl-3-(3,3,4-trimethylpiperazin-1-yl)oxan-4-amine
PubChem CID63610196
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-propyl-3-(3,3,4-trimethylpiperazin-1-yl)oxan-4-amine
SMILESCCCNC1CCOCC1N1CCN(C)C(C)(C)C1
InChIInChI=1S/C15H31N3O/c1-5-7-16-13-6-10-19-11-14(13)18-9-8-17(4)15(2,3)12-18/h13-14,16H,5-12H2,1-4H3
InChIKeyWODUXANGBYIRIX-UHFFFAOYSA-N
XLogP1.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine
CID 103532098
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-propyloxan-4-amine
CID 63013936
N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine
CID 81464857
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine
CID 83227452
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine
CID 62886977
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethyloxan-4-amine
CID 63150384
N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]oxan-4-amine
CID 63620851
N-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63608607
4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol
CID 107408715
2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine
CID 65281074
3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine
CID 103532587
3-hexyl-N-propyloxan-4-amine
CID 106469429

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)oxan-4-amine?
The IUPAC name of N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)oxan-4-amine (CID 63610196) is N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)oxan-4-amine.
What is the SMILES notation for N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)oxan-4-amine?
The canonical SMILES for N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)oxan-4-amine is CCCNC1CCOCC1N1CCN(C)C(C)(C)C1.
What is the InChIKey of N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)oxan-4-amine?
The InChIKey is WODUXANGBYIRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-7-16-13-6-10-19-11-14(13)18-9-8-17(4)15(2,3)12-18/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)oxan-4-amine?
N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)oxan-4-amine has a molecular weight of 269.43 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)oxan-4-amine is sourced from PubChem (CID 63610196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).