2-N,2-N-diethyl-6-methoxy-2,6-dimethyl-3-N-propylheptane-2,3-diamine

C17H38N2O — CID 103035812

IUPAC2-N,2-N-diethyl-6-methoxy-2,6-dimethyl-3-N-propylheptane-2,3-diamine
SMILESCCCNC(CCC(C)(C)OC)C(C)(C)N(CC)CC
InChIInChI=1S/C17H38N2O/c1-9-14-18-15(12-13-16(4,5)20-8)17(6,7)19(10-2)11-3/h15,18H,9-14H2,1-8H3
InChIKeyDSPAXIYARZRRNE-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.68
Rot. Bonds11

About 2-N,2-N-diethyl-6-methoxy-2,6-dimethyl-3-N-propylheptane-2,3-diamine

2-N,2-N-diethyl-6-methoxy-2,6-dimethyl-3-N-propylheptane-2,3-diamine (PubChem CID 103035812) has the molecular formula C17H38N2O and a molecular weight of 286.50 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-methoxy-2,6-dimethyl-3-N-propylheptane-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-methoxy-2,6-dimethyl-3-N-propylheptane-2,3-diamine
PubChem CID103035812
Molecular FormulaC17H38N2O
Molecular Weight286.50 g/mol
Exact Mass286.30
IUPAC Name2-N,2-N-diethyl-6-methoxy-2,6-dimethyl-3-N-propylheptane-2,3-diamine
SMILESCCCNC(CCC(C)(C)OC)C(C)(C)N(CC)CC
InChIInChI=1S/C17H38N2O/c1-9-14-18-15(12-13-16(4,5)20-8)17(6,7)19(10-2)11-3/h15,18H,9-14H2,1-8H3
InChIKeyDSPAXIYARZRRNE-UHFFFAOYSA-N
XLogP3.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
CID 103032439
2-N,2-N-diethyl-6-methoxy-2,6-dimethylheptane-2,3-diamine
CID 103035810
5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine
CID 103035628
3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine
CID 103036085
1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine
CID 103035868
4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline
CID 103031134
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031317
3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine
CID 103036101
1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 106676429
3-N,3-N,3-triethyl-4-N-propylheptane-3,4-diamine
CID 79067168
5-methoxy-5-methyl-N,2-dipropylhexan-1-amine
CID 103036662
3-N,3-N,3-triethyl-7-methoxy-7-methyloctane-3,4-diamine
CID 103035847

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-methoxy-2,6-dimethyl-3-N-propylheptane-2,3-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-methoxy-2,6-dimethyl-3-N-propylheptane-2,3-diamine (CID 103035812) is 2-N,2-N-diethyl-6-methoxy-2,6-dimethyl-3-N-propylheptane-2,3-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-methoxy-2,6-dimethyl-3-N-propylheptane-2,3-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-methoxy-2,6-dimethyl-3-N-propylheptane-2,3-diamine is CCCNC(CCC(C)(C)OC)C(C)(C)N(CC)CC.
What is the InChIKey of 2-N,2-N-diethyl-6-methoxy-2,6-dimethyl-3-N-propylheptane-2,3-diamine?
The InChIKey is DSPAXIYARZRRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O/c1-9-14-18-15(12-13-16(4,5)20-8)17(6,7)19(10-2)11-3/h15,18H,9-14H2,1-8H3.
What are the key properties of 2-N,2-N-diethyl-6-methoxy-2,6-dimethyl-3-N-propylheptane-2,3-diamine?
2-N,2-N-diethyl-6-methoxy-2,6-dimethyl-3-N-propylheptane-2,3-diamine has a molecular weight of 286.50 g/mol, XLogP of 3.68, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-methoxy-2,6-dimethyl-3-N-propylheptane-2,3-diamine is sourced from PubChem (CID 103035812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).