1-cyclopropyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylguanidine;hydroiodide

C19H31IN4O — CID 110029841

IUPAC1-cyclopropyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylguanidine;hydroiodide
SMILESCC1CN(Cc2ccc(C/N=C(\N)N(C)C3CC3)cc2)CC(C)O1.I
InChIInChI=1S/C19H30N4O.HI/c1-14-11-23(12-15(2)24-14)13-17-6-4-16(5-7-17)10-21-19(20)22(3)18-8-9-18;/h4-7,14-15,18H,8-13H2,1-3H3,(H2,20,21);1H
InChIKeyDSKCWSAFGWNOJZ-UHFFFAOYSA-N
MW458.39 g/mol
LogP2.82
Rot. Bonds5

About 1-cyclopropyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylguanidine;hydroiodide

1-cyclopropyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylguanidine;hydroiodide (PubChem CID 110029841) has the molecular formula C19H31IN4O and a molecular weight of 458.39 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylguanidine;hydroiodide
PubChem CID110029841
Molecular FormulaC19H31IN4O
Molecular Weight458.39 g/mol
Exact Mass458.15
IUPAC Name1-cyclopropyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylguanidine;hydroiodide
SMILESCC1CN(Cc2ccc(C/N=C(\N)N(C)C3CC3)cc2)CC(C)O1.I
InChIInChI=1S/C19H30N4O.HI/c1-14-11-23(12-15(2)24-14)13-17-6-4-16(5-7-17)10-21-19(20)22(3)18-8-9-18;/h4-7,14-15,18H,8-13H2,1-3H3,(H2,20,21);1H
InChIKeyDSKCWSAFGWNOJZ-UHFFFAOYSA-N
XLogP2.82
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-1-methyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110029615
2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110029377
1-cyclohexyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111047313
2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110893240
2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111047309
1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine
CID 110029396
1-cyclopropyl-1-methyl-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110029707
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110029931
4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarbothioamide
CID 24703494
4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide
CID 110029864
1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine
CID 110031755
1-cyclopropyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methylguanidine;hydroiodide
CID 110030646

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylguanidine;hydroiodide (CID 110029841) is 1-cyclopropyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylguanidine;hydroiodide is CC1CN(Cc2ccc(C/N=C(\N)N(C)C3CC3)cc2)CC(C)O1.I.
What is the InChIKey of 1-cyclopropyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylguanidine;hydroiodide?
The InChIKey is DSKCWSAFGWNOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.HI/c1-14-11-23(12-15(2)24-14)13-17-6-4-16(5-7-17)10-21-19(20)22(3)18-8-9-18;/h4-7,14-15,18H,8-13H2,1-3H3,(H2,20,21);1H.
What are the key properties of 1-cyclopropyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylguanidine;hydroiodide?
1-cyclopropyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylguanidine;hydroiodide has a molecular weight of 458.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110029841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).