N'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine

C17H35N3O — CID 104745572

IUPACN'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C1CCN(CC)CC1)C1CCOC1
InChIInChI=1S/C17H35N3O/c1-4-9-18-17(15-8-12-21-14-15)13-19(3)16-6-10-20(5-2)11-7-16/h15-18H,4-14H2,1-3H3
InChIKeyDQCHJFCTVWMTOR-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.81
Rot. Bonds8

About N'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine

N'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine (PubChem CID 104745572) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
PubChem CID104745572
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C1CCN(CC)CC1)C1CCOC1
InChIInChI=1S/C17H35N3O/c1-4-9-18-17(15-8-12-21-14-15)13-19(3)16-6-10-20(5-2)11-7-16/h15-18H,4-14H2,1-3H3
InChIKeyDQCHJFCTVWMTOR-UHFFFAOYSA-N
XLogP1.81
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104744950
N-ethyl-N'-methyl-N'-(4-methylcyclohexyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745242
N'-cyclopentyl-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744659
1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine
CID 104744921
N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine
CID 104746914
N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745066
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol
CID 64898823
N-[2-(furan-3-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 83175448
N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745738
1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
CID 65330642
1-cyclohexyl-N'-(1-ethylpiperidin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 104745568

Frequently Asked Questions

What is the IUPAC name of N'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine (CID 104745572) is N'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine is CCCNC(CN(C)C1CCN(CC)CC1)C1CCOC1.
What is the InChIKey of N'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine?
The InChIKey is DQCHJFCTVWMTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-4-9-18-17(15-8-12-21-14-15)13-19(3)16-6-10-20(5-2)11-7-16/h15-18H,4-14H2,1-3H3.
What are the key properties of N'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine?
N'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine has a molecular weight of 297.49 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 104745572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).