1-cyclopropyl-3-[(4-cyclopropylmorpholin-2-yl)methyl]-2-methylguanidine

C13H24N4O — CID 122082742

IUPAC1-cyclopropyl-3-[(4-cyclopropylmorpholin-2-yl)methyl]-2-methylguanidine
SMILESC/N=C(\NCC1CN(C2CC2)CCO1)NC1CC1
InChIInChI=1S/C13H24N4O/c1-14-13(16-10-2-3-10)15-8-12-9-17(6-7-18-12)11-4-5-11/h10-12H,2-9H2,1H3,(H2,14,15,16)
InChIKeyACUZVKCXWZCNFV-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.18
Rot. Bonds4

About 1-cyclopropyl-3-[(4-cyclopropylmorpholin-2-yl)methyl]-2-methylguanidine

1-cyclopropyl-3-[(4-cyclopropylmorpholin-2-yl)methyl]-2-methylguanidine (PubChem CID 122082742) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(4-cyclopropylmorpholin-2-yl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-[(4-cyclopropylmorpholin-2-yl)methyl]-2-methylguanidine
PubChem CID122082742
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-cyclopropyl-3-[(4-cyclopropylmorpholin-2-yl)methyl]-2-methylguanidine
SMILESC/N=C(\NCC1CN(C2CC2)CCO1)NC1CC1
InChIInChI=1S/C13H24N4O/c1-14-13(16-10-2-3-10)15-8-12-9-17(6-7-18-12)11-4-5-11/h10-12H,2-9H2,1H3,(H2,14,15,16)
InChIKeyACUZVKCXWZCNFV-UHFFFAOYSA-N
XLogP0.18
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110991009
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 111919636
1-(1-cyclopentylpyrrolidin-3-yl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine
CID 119150730
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111319178
1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119146298
1-cyclopropyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]methanamine
CID 95979352
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317878
1-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2,3-dimethylguanidine
CID 97101608
1-(cyclopentylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 119150585
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-tert-butyl-2-methylguanidine;hydroiodide
CID 110965649
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
CID 119153886
1-(cyclopropylmethyl)-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111368833

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(4-cyclopropylmorpholin-2-yl)methyl]-2-methylguanidine?
The IUPAC name of 1-cyclopropyl-3-[(4-cyclopropylmorpholin-2-yl)methyl]-2-methylguanidine (CID 122082742) is 1-cyclopropyl-3-[(4-cyclopropylmorpholin-2-yl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-3-[(4-cyclopropylmorpholin-2-yl)methyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopropyl-3-[(4-cyclopropylmorpholin-2-yl)methyl]-2-methylguanidine is C/N=C(\NCC1CN(C2CC2)CCO1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(4-cyclopropylmorpholin-2-yl)methyl]-2-methylguanidine?
The InChIKey is ACUZVKCXWZCNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-14-13(16-10-2-3-10)15-8-12-9-17(6-7-18-12)11-4-5-11/h10-12H,2-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclopropyl-3-[(4-cyclopropylmorpholin-2-yl)methyl]-2-methylguanidine?
1-cyclopropyl-3-[(4-cyclopropylmorpholin-2-yl)methyl]-2-methylguanidine has a molecular weight of 252.36 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(4-cyclopropylmorpholin-2-yl)methyl]-2-methylguanidine is sourced from PubChem (CID 122082742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).