1-cyclopropyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-3-amine

C14H27N3O — CID 115871558

IUPAC1-cyclopropyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-3-amine
SMILESCC1CC(NCC2CN(C)CCO2)CN1C1CC1
InChIInChI=1S/C14H27N3O/c1-11-7-12(9-17(11)13-3-4-13)15-8-14-10-16(2)5-6-18-14/h11-15H,3-10H2,1-2H3
InChIKeyZQDNAOKLOPUQGR-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.53
Rot. Bonds4

About 1-cyclopropyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-3-amine

1-cyclopropyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 115871558) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-cyclopropyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-3-amine
PubChem CID115871558
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-cyclopropyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-3-amine
SMILESCC1CC(NCC2CN(C)CCO2)CN1C1CC1
InChIInChI=1S/C14H27N3O/c1-11-7-12(9-17(11)13-3-4-13)15-8-14-10-16(2)5-6-18-14/h11-15H,3-10H2,1-2H3
InChIKeyZQDNAOKLOPUQGR-UHFFFAOYSA-N
XLogP0.53
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-3-amine (CID 115871558) is 1-cyclopropyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-3-amine is CC1CC(NCC2CN(C)CCO2)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is ZQDNAOKLOPUQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11-7-12(9-17(11)13-3-4-13)15-8-14-10-16(2)5-6-18-14/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-3-amine?
1-cyclopropyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 253.39 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 115871558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).