3-amino-1-(cyclobutylmethyl)-2-(3-methoxypropyl)-1-methylguanidine

C11H24N4O — CID 104882567

IUPAC3-amino-1-(cyclobutylmethyl)-2-(3-methoxypropyl)-1-methylguanidine
SMILESCOCCC/N=C(\NN)N(C)CC1CCC1
InChIInChI=1S/C11H24N4O/c1-15(9-10-5-3-6-10)11(14-12)13-7-4-8-16-2/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyBTASJPBGMNXYSL-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.57
Rot. Bonds6

About 3-amino-1-(cyclobutylmethyl)-2-(3-methoxypropyl)-1-methylguanidine

3-amino-1-(cyclobutylmethyl)-2-(3-methoxypropyl)-1-methylguanidine (PubChem CID 104882567) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-amino-1-(cyclobutylmethyl)-2-(3-methoxypropyl)-1-methylguanidine.

Molecular Properties

Compound Name3-amino-1-(cyclobutylmethyl)-2-(3-methoxypropyl)-1-methylguanidine
PubChem CID104882567
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name3-amino-1-(cyclobutylmethyl)-2-(3-methoxypropyl)-1-methylguanidine
SMILESCOCCC/N=C(\NN)N(C)CC1CCC1
InChIInChI=1S/C11H24N4O/c1-15(9-10-5-3-6-10)11(14-12)13-7-4-8-16-2/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyBTASJPBGMNXYSL-UHFFFAOYSA-N
XLogP0.57
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide
CID 103504870
3-Amino-1-(cyclobutylmethyl)-1,2-dimethylguanidine
CID 104881908
3-Amino-1-(cyclobutylmethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine
CID 104882561
3-Amino-2-butyl-1-(cyclobutylmethyl)-1-methylguanidine
CID 104882562
3-Amino-1-(cyclobutylmethyl)-2-(3-ethoxypropyl)-1-methylguanidine
CID 104882563
3-Amino-1-(cyclobutylmethyl)-2-ethyl-1-methylguanidine
CID 104882564
3-Amino-1-(cyclobutylmethyl)-1-methyl-2-propylguanidine
CID 104882565
3-Amino-1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine
CID 104882570
3-Amino-1-(cyclobutylmethyl)-2-(2-methoxyethyl)-1-methylguanidine
CID 104882572
N-amino-N'-(3-methoxypropyl)-3,5-dimethylpiperidine-1-carboximidamide
CID 104883210
N-amino-N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 104883217
N-amino-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 104883220

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(cyclobutylmethyl)-2-(3-methoxypropyl)-1-methylguanidine?
The IUPAC name of 3-amino-1-(cyclobutylmethyl)-2-(3-methoxypropyl)-1-methylguanidine (CID 104882567) is 3-amino-1-(cyclobutylmethyl)-2-(3-methoxypropyl)-1-methylguanidine.
What is the SMILES notation for 3-amino-1-(cyclobutylmethyl)-2-(3-methoxypropyl)-1-methylguanidine?
The canonical SMILES for 3-amino-1-(cyclobutylmethyl)-2-(3-methoxypropyl)-1-methylguanidine is COCCC/N=C(\NN)N(C)CC1CCC1.
What is the InChIKey of 3-amino-1-(cyclobutylmethyl)-2-(3-methoxypropyl)-1-methylguanidine?
The InChIKey is BTASJPBGMNXYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-15(9-10-5-3-6-10)11(14-12)13-7-4-8-16-2/h10H,3-9,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-1-(cyclobutylmethyl)-2-(3-methoxypropyl)-1-methylguanidine?
3-amino-1-(cyclobutylmethyl)-2-(3-methoxypropyl)-1-methylguanidine has a molecular weight of 228.34 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(cyclobutylmethyl)-2-(3-methoxypropyl)-1-methylguanidine is sourced from PubChem (CID 104882567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).