3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine

C14H27N3O — CID 55141019

IUPAC3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine
SMILESCN(CC1CCCO1)C1(CN)CCN(C2CC2)C1
InChIInChI=1S/C14H27N3O/c1-16(9-13-3-2-8-18-13)14(10-15)6-7-17(11-14)12-4-5-12/h12-13H,2-11,15H2,1H3
InChIKeySTODTDKHRPAZAM-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.66
Rot. Bonds5

About 3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine

3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 55141019) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine
PubChem CID55141019
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine
SMILESCN(CC1CCCO1)C1(CN)CCN(C2CC2)C1
InChIInChI=1S/C14H27N3O/c1-16(9-13-3-2-8-18-13)14(10-15)6-7-17(11-14)12-4-5-12/h12-13H,2-11,15H2,1H3
InChIKeySTODTDKHRPAZAM-UHFFFAOYSA-N
XLogP0.66
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine (CID 55141019) is 3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine is CN(CC1CCCO1)C1(CN)CCN(C2CC2)C1.
What is the InChIKey of 3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is STODTDKHRPAZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16(9-13-3-2-8-18-13)14(10-15)6-7-17(11-14)12-4-5-12/h12-13H,2-11,15H2,1H3.
What are the key properties of 3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine?
3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 253.39 g/mol, XLogP of 0.66, 5 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-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 55141019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).