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

C15H29N3O — CID 63726113

IUPAC3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxan-3-ylmethyl)pyrrolidin-3-amine
SMILESCN(CC1CCCOC1)C1(CN)CCN(C2CC2)C1
InChIInChI=1S/C15H29N3O/c1-17(9-13-3-2-8-19-10-13)15(11-16)6-7-18(12-15)14-4-5-14/h13-14H,2-12,16H2,1H3
InChIKeyZETSIGUGDLCIMN-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.91
Rot. Bonds5

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

3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxan-3-ylmethyl)pyrrolidin-3-amine (PubChem CID 63726113) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxan-3-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxan-3-ylmethyl)pyrrolidin-3-amine
PubChem CID63726113
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxan-3-ylmethyl)pyrrolidin-3-amine
SMILESCN(CC1CCCOC1)C1(CN)CCN(C2CC2)C1
InChIInChI=1S/C15H29N3O/c1-17(9-13-3-2-8-19-10-13)15(11-16)6-7-18(12-15)14-4-5-14/h13-14H,2-12,16H2,1H3
InChIKeyZETSIGUGDLCIMN-UHFFFAOYSA-N
XLogP0.91
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.91
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-(oxan-3-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxan-3-ylmethyl)pyrrolidin-3-amine (CID 63726113) is 3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxan-3-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxan-3-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxan-3-ylmethyl)pyrrolidin-3-amine is CN(CC1CCCOC1)C1(CN)CCN(C2CC2)C1.
What is the InChIKey of 3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxan-3-ylmethyl)pyrrolidin-3-amine?
The InChIKey is ZETSIGUGDLCIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-17(9-13-3-2-8-19-10-13)15(11-16)6-7-18(12-15)14-4-5-14/h13-14H,2-12,16H2,1H3.
What are the key properties of 3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxan-3-ylmethyl)pyrrolidin-3-amine?
3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(oxan-3-ylmethyl)pyrrolidin-3-amine has a molecular weight of 267.42 g/mol, XLogP of 0.91, 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-(oxan-3-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 63726113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).