3-(aminomethyl)-1-cyclopropyl-N-ethyl-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine

C14H29N3O — CID 62976391

IUPAC3-(aminomethyl)-1-cyclopropyl-N-ethyl-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine
SMILESCCN(C(C)COC)C1(CN)CCN(C2CC2)C1
InChIInChI=1S/C14H29N3O/c1-4-17(12(2)9-18-3)14(10-15)7-8-16(11-14)13-5-6-13/h12-13H,4-11,15H2,1-3H3
InChIKeyOACGCWLTNXDMNS-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.91
Rot. Bonds7

About 3-(aminomethyl)-1-cyclopropyl-N-ethyl-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine

3-(aminomethyl)-1-cyclopropyl-N-ethyl-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine (PubChem CID 62976391) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-(aminomethyl)-1-cyclopropyl-N-ethyl-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1-cyclopropyl-N-ethyl-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine
PubChem CID62976391
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-(aminomethyl)-1-cyclopropyl-N-ethyl-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine
SMILESCCN(C(C)COC)C1(CN)CCN(C2CC2)C1
InChIInChI=1S/C14H29N3O/c1-4-17(12(2)9-18-3)14(10-15)7-8-16(11-14)13-5-6-13/h12-13H,4-11,15H2,1-3H3
InChIKeyOACGCWLTNXDMNS-UHFFFAOYSA-N
XLogP0.91
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-1-cyclopropyl-N,N-diethylpyrrolidin-3-amine
CID 62975820
4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine
CID 55011698
3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(4-methylpentan-2-yl)pyrrolidin-3-amine
CID 62977877
3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine
CID 55141796
4-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1-propylpiperidin-4-amine
CID 55010968
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopentan-1-amine
CID 64502008
3-(aminomethyl)-N-butyl-1-cyclopropyl-N-ethylpyrrolidin-3-amine
CID 62975638
1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
CID 106821943
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107449052
1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
CID 106821942
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62704477
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine
CID 62980197

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-cyclopropyl-N-ethyl-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-1-cyclopropyl-N-ethyl-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine (CID 62976391) is 3-(aminomethyl)-1-cyclopropyl-N-ethyl-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-1-cyclopropyl-N-ethyl-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-1-cyclopropyl-N-ethyl-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine is CCN(C(C)COC)C1(CN)CCN(C2CC2)C1.
What is the InChIKey of 3-(aminomethyl)-1-cyclopropyl-N-ethyl-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine?
The InChIKey is OACGCWLTNXDMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-17(12(2)9-18-3)14(10-15)7-8-16(11-14)13-5-6-13/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-cyclopropyl-N-ethyl-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine?
3-(aminomethyl)-1-cyclopropyl-N-ethyl-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine has a molecular weight of 255.41 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-cyclopropyl-N-ethyl-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 62976391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).