2,2-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)morpholine

C13H22N4O — CID 79354573

IUPAC2,2-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)morpholine
SMILESCC1(C)CN(CC2Cc3nc[nH]c3CN2)CCO1
InChIInChI=1S/C13H22N4O/c1-13(2)8-17(3-4-18-13)7-10-5-11-12(6-14-10)16-9-15-11/h9-10,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyDRWURAFKYSGDNS-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.53
Rot. Bonds2

About 2,2-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)morpholine

2,2-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)morpholine (PubChem CID 79354573) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)morpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)morpholine
PubChem CID79354573
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2,2-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)morpholine
SMILESCC1(C)CN(CC2Cc3nc[nH]c3CN2)CCO1
InChIInChI=1S/C13H22N4O/c1-13(2)8-17(3-4-18-13)7-10-5-11-12(6-14-10)16-9-15-11/h9-10,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyDRWURAFKYSGDNS-UHFFFAOYSA-N
XLogP0.53
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)morpholine?
The IUPAC name of 2,2-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)morpholine (CID 79354573) is 2,2-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)morpholine.
What is the SMILES notation for 2,2-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)morpholine?
The canonical SMILES for 2,2-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)morpholine is CC1(C)CN(CC2Cc3nc[nH]c3CN2)CCO1.
What is the InChIKey of 2,2-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)morpholine?
The InChIKey is DRWURAFKYSGDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2)8-17(3-4-18-13)7-10-5-11-12(6-14-10)16-9-15-11/h9-10,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2,2-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)morpholine?
2,2-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)morpholine has a molecular weight of 250.35 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)morpholine is sourced from PubChem (CID 79354573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).