2-N-cyclopentyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine

C12H26N2O — CID 62535108

IUPAC2-N-cyclopentyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine
SMILESCCN(C1CCCC1)C(C)(CN)COC
InChIInChI=1S/C12H26N2O/c1-4-14(11-7-5-6-8-11)12(2,9-13)10-15-3/h11H,4-10,13H2,1-3H3
InChIKeyYMLWKYALYFRSLD-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds6

About 2-N-cyclopentyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine

2-N-cyclopentyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine (PubChem CID 62535108) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-N-cyclopentyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine
PubChem CID62535108
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-N-cyclopentyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine
SMILESCCN(C1CCCC1)C(C)(CN)COC
InChIInChI=1S/C12H26N2O/c1-4-14(11-7-5-6-8-11)12(2,9-13)10-15-3/h11H,4-10,13H2,1-3H3
InChIKeyYMLWKYALYFRSLD-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-cyclopropyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine
CID 62537022
2-N-cyclohexyl-3-ethoxy-2-N-ethyl-2-methylpropane-1,2-diamine
CID 113493169
2-N-cyclopropyl-3-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 115002693
2-N-cyclopentyl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43540970
2-N-cyclohexyl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43409655
3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine
CID 62535497
2-N-cyclopentyl-2-N-ethyl-2-methyl-3-phenylpropane-1,2-diamine
CID 55150298
2-N-cyclopentyl-2-cyclopropyl-2-N-ethylpropane-1,2-diamine
CID 43540936
2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine
CID 62536836
2-N-cyclohexyl-2-N-ethyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831000
2-cyclopentyl-2-(methoxymethyl)butan-1-amine
CID 139927552
2-N-cyclopropyl-2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine
CID 61452960

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclopentyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine (CID 62535108) is 2-N-cyclopentyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopentyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclopentyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine is CCN(C1CCCC1)C(C)(CN)COC.
What is the InChIKey of 2-N-cyclopentyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine?
The InChIKey is YMLWKYALYFRSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-14(11-7-5-6-8-11)12(2,9-13)10-15-3/h11H,4-10,13H2,1-3H3.
What are the key properties of 2-N-cyclopentyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine?
2-N-cyclopentyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine is sourced from PubChem (CID 62535108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).