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

C17H34N2O — CID 104744950

IUPACN'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C1CCCCCC1)C1CCOC1
InChIInChI=1S/C17H34N2O/c1-3-11-18-17(15-10-12-20-14-15)13-19(2)16-8-6-4-5-7-9-16/h15-18H,3-14H2,1-2H3
InChIKeyMKAOBENRXHYRSX-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds7

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

N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine (PubChem CID 104744950) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
PubChem CID104744950
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C1CCCCCC1)C1CCOC1
InChIInChI=1S/C17H34N2O/c1-3-11-18-17(15-10-12-20-14-15)13-19(2)16-8-6-4-5-7-9-16/h15-18H,3-14H2,1-2H3
InChIKeyMKAOBENRXHYRSX-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745572
N-ethyl-N'-methyl-N'-(4-methylcyclohexyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745242
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-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104749186
2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752424
1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 104744928
N-[2-cyclopentyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448527
N'-cyclopentyl-N,N'-diethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448037
N-ethyl-N'-methyl-N'-(2-methylcyclohexyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745529

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine (CID 104744950) is N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine is CCCNC(CN(C)C1CCCCCC1)C1CCOC1.
What is the InChIKey of N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine?
The InChIKey is MKAOBENRXHYRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-11-18-17(15-10-12-20-14-15)13-19(2)16-8-6-4-5-7-9-16/h15-18H,3-14H2,1-2H3.
What are the key properties of N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine?
N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 104744950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).