(3S)-N-cyclohexyl-1-(2-methoxyethyl)pyrrolidin-3-amine

C13H26N2O — CID 10489453

IUPAC(3S)-N-cyclohexyl-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1CC[C@H](NC2CCCCC2)C1
InChIInChI=1S/C13H26N2O/c1-16-10-9-15-8-7-13(11-15)14-12-5-3-2-4-6-12/h12-14H,2-11H2,1H3/t13-/m0/s1
InChIKeyGUCCAQCNBPSJSQ-ZDUSSCGKSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds5

About (3S)-N-cyclohexyl-1-(2-methoxyethyl)pyrrolidin-3-amine

(3S)-N-cyclohexyl-1-(2-methoxyethyl)pyrrolidin-3-amine (PubChem CID 10489453) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (3S)-N-cyclohexyl-1-(2-methoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-cyclohexyl-1-(2-methoxyethyl)pyrrolidin-3-amine
PubChem CID10489453
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(3S)-N-cyclohexyl-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1CC[C@H](NC2CCCCC2)C1
InChIInChI=1S/C13H26N2O/c1-16-10-9-15-8-7-13(11-15)14-12-5-3-2-4-6-12/h12-14H,2-11H2,1H3/t13-/m0/s1
InChIKeyGUCCAQCNBPSJSQ-ZDUSSCGKSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Pyrrolidin-2-ylmethyl)morpholine
CID 4715221
(2-Methoxyethyl)(methyl)((pyrrolidin-2-yl)methyl)amine
CID 50989303
1-(2-Methoxyethyl)pyrrolidin-3-amine
CID 20800284
4-[(2S,3S)-2-Methylpyrrolidin-3-yl]morpholine
CID 99868085
(S)-4-(pyrrolidin-2-ylmethyl)morpholine
CID 7141612
8-(2-methoxyethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740866
4-[(2R,3R)-2-methylpyrrolidin-3-yl]morpholine
CID 99868082
4-(5-Methylpyrrolidin-3-yl)morpholine
CID 119030994
1,2-Cyclohexanediamine, N,N'-bis(2-methoxyethyl)-, (1R,2R)-
CID 10966323
rac-(3S,4S)-N-cyclohexyl-1-isopropyl-4-methoxypyrrolidin-3-amine
CID 131915740
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 106614013
N-[(3-fluoropyrrolidin-2-yl)methyl]-N-methyloxetan-3-amine
CID 172334274

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclohexyl-1-(2-methoxyethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-N-cyclohexyl-1-(2-methoxyethyl)pyrrolidin-3-amine (CID 10489453) is (3S)-N-cyclohexyl-1-(2-methoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-cyclohexyl-1-(2-methoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-cyclohexyl-1-(2-methoxyethyl)pyrrolidin-3-amine is COCCN1CC[C@H](NC2CCCCC2)C1.
What is the InChIKey of (3S)-N-cyclohexyl-1-(2-methoxyethyl)pyrrolidin-3-amine?
The InChIKey is GUCCAQCNBPSJSQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H26N2O/c1-16-10-9-15-8-7-13(11-15)14-12-5-3-2-4-6-12/h12-14H,2-11H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-N-cyclohexyl-1-(2-methoxyethyl)pyrrolidin-3-amine?
(3S)-N-cyclohexyl-1-(2-methoxyethyl)pyrrolidin-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclohexyl-1-(2-methoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 10489453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).