2-methyl-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine

C19H32N6O — CID 110026801

IUPAC2-methyl-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine
SMILESC/N=C(\NCCN1CCOCC1)NCc1ccc(C)nc1N1CCCC1
InChIInChI=1S/C19H32N6O/c1-16-5-6-17(18(23-16)25-8-3-4-9-25)15-22-19(20-2)21-7-10-24-11-13-26-14-12-24/h5-6H,3-4,7-15H2,1-2H3,(H2,20,21,22)
InChIKeyMEGBEZKVCALKEP-UHFFFAOYSA-N
MW360.51 g/mol
LogP0.99
Rot. Bonds6

About 2-methyl-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine

2-methyl-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine (PubChem CID 110026801) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is 2-methyl-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine
PubChem CID110026801
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Name2-methyl-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine
SMILESC/N=C(\NCCN1CCOCC1)NCc1ccc(C)nc1N1CCCC1
InChIInChI=1S/C19H32N6O/c1-16-5-6-17(18(23-16)25-8-3-4-9-25)15-22-19(20-2)21-7-10-24-11-13-26-14-12-24/h5-6H,3-4,7-15H2,1-2H3,(H2,20,21,22)
InChIKeyMEGBEZKVCALKEP-UHFFFAOYSA-N
XLogP0.99
TPSA65.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 2-methyl-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine (CID 110026801) is 2-methyl-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 2-methyl-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine is C/N=C(\NCCN1CCOCC1)NCc1ccc(C)nc1N1CCCC1.
What is the InChIKey of 2-methyl-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is MEGBEZKVCALKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O/c1-16-5-6-17(18(23-16)25-8-3-4-9-25)15-22-19(20-2)21-7-10-24-11-13-26-14-12-24/h5-6H,3-4,7-15H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-methyl-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine?
2-methyl-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 360.51 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 110026801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).