2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine

C13H29N3O — CID 62536836

IUPAC2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine
SMILESCCN1CCC(N(C)C(C)(CN)COC)CC1
InChIInChI=1S/C13H29N3O/c1-5-16-8-6-12(7-9-16)15(3)13(2,10-14)11-17-4/h12H,5-11,14H2,1-4H3
InChIKeyYWOIVVFKWQGFBT-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.77
Rot. Bonds6

About 2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine

2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 62536836) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine
PubChem CID62536836
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine
SMILESCCN1CCC(N(C)C(C)(CN)COC)CC1
InChIInChI=1S/C13H29N3O/c1-5-16-8-6-12(7-9-16)15(3)13(2,10-14)11-17-4/h12H,5-11,14H2,1-4H3
InChIKeyYWOIVVFKWQGFBT-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine
CID 55004117
3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine
CID 62535497
2-N-cyclopropyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine
CID 62537022
2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 60709756
2-N-cyclopentyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine
CID 62535108
2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675628
N'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine
CID 65246884
4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 66178631
ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine
CID 142615692
2-N-(1-ethylpiperidin-4-yl)-2-N,3,3-trimethylbutane-1,2-diamine
CID 55004116
2-N-cyclopropyl-3-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 115002693
2,2,2-trifluoroethyl N-(1-ethylpiperidin-4-yl)-N-methylcarbamate
CID 65173697

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine (CID 62536836) is 2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine is CCN1CCC(N(C)C(C)(CN)COC)CC1.
What is the InChIKey of 2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is YWOIVVFKWQGFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-16-8-6-12(7-9-16)15(3)13(2,10-14)11-17-4/h12H,5-11,14H2,1-4H3.
What are the key properties of 2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine?
2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 243.39 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 62536836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).