3-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-1,5-dimethylpyrrolidin-3-amine

C13H27N3O — CID 81467482

IUPAC3-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCOCCN(C1CC1)C1(CN)CC(C)N(C)C1
InChIInChI=1S/C13H27N3O/c1-11-8-13(9-14,10-15(11)2)16(6-7-17-3)12-4-5-12/h11-12H,4-10,14H2,1-3H3
InChIKeyJGOFCLMYVQSANQ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.52
Rot. Bonds6

About 3-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-1,5-dimethylpyrrolidin-3-amine

3-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81467482) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-1,5-dimethylpyrrolidin-3-amine
PubChem CID81467482
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCOCCN(C1CC1)C1(CN)CC(C)N(C)C1
InChIInChI=1S/C13H27N3O/c1-11-8-13(9-14,10-15(11)2)16(6-7-17-3)12-4-5-12/h11-12H,4-10,14H2,1-3H3
InChIKeyJGOFCLMYVQSANQ-UHFFFAOYSA-N
XLogP0.52
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-cyclopropyl-N-ethyl-1,5-dimethylpyrrolidin-3-amine
CID 81467476
3-(aminomethyl)-N,1,5-trimethyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 81467887
3-(aminomethyl)-N,N,1,5-tetramethylpyrrolidin-3-amine
CID 81467881
3-(aminomethyl)-N,N-bis(cyclopropylmethyl)-1,5-dimethylpyrrolidin-3-amine
CID 81467695
3-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylpyrrolidin-3-amine
CID 62977308
3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine
CID 81468809
3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 81467794
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine
CID 64745065
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 62259601
4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine
CID 82734229
3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine
CID 81468498
3-[1-(aminomethyl)cyclopropyl]-1,5-dimethylpyrrolidin-3-ol
CID 130513403

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-1,5-dimethylpyrrolidin-3-amine (CID 81467482) is 3-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-1,5-dimethylpyrrolidin-3-amine is COCCN(C1CC1)C1(CN)CC(C)N(C)C1.
What is the InChIKey of 3-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is JGOFCLMYVQSANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11-8-13(9-14,10-15(11)2)16(6-7-17-3)12-4-5-12/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-1,5-dimethylpyrrolidin-3-amine?
3-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 241.38 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81467482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).