1-amino-3-(3-methoxy-2,2-dimethylcyclobutyl)-2-(3-methoxypropyl)guanidine

C12H26N4O2 — CID 114121174

IUPAC1-amino-3-(3-methoxy-2,2-dimethylcyclobutyl)-2-(3-methoxypropyl)guanidine
SMILESCOCCC/N=C(\NN)NC1CC(OC)C1(C)C
InChIInChI=1S/C12H26N4O2/c1-12(2)9(8-10(12)18-4)15-11(16-13)14-6-5-7-17-3/h9-10H,5-8,13H2,1-4H3,(H2,14,15,16)
InChIKeyULWVIARZFKYXEE-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.25
Rot. Bonds6

About 1-amino-3-(3-methoxy-2,2-dimethylcyclobutyl)-2-(3-methoxypropyl)guanidine

1-amino-3-(3-methoxy-2,2-dimethylcyclobutyl)-2-(3-methoxypropyl)guanidine (PubChem CID 114121174) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-amino-3-(3-methoxy-2,2-dimethylcyclobutyl)-2-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(3-methoxy-2,2-dimethylcyclobutyl)-2-(3-methoxypropyl)guanidine
PubChem CID114121174
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name1-amino-3-(3-methoxy-2,2-dimethylcyclobutyl)-2-(3-methoxypropyl)guanidine
SMILESCOCCC/N=C(\NN)NC1CC(OC)C1(C)C
InChIInChI=1S/C12H26N4O2/c1-12(2)9(8-10(12)18-4)15-11(16-13)14-6-5-7-17-3/h9-10H,5-8,13H2,1-4H3,(H2,14,15,16)
InChIKeyULWVIARZFKYXEE-UHFFFAOYSA-N
XLogP0.25
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-amino-2-(3-methoxypropyl)-3-(thiolan-3-yl)guanidine
CID 103065587
1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine
CID 104883732
1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 104885498
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide
CID 103798000
1-amino-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine
CID 104888654
1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine
CID 104886210
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid
CID 104768155
2-[[N-amino-N'-(3-methoxypropyl)carbamimidoyl]amino]ethyl carbamate
CID 104888085
N'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine
CID 114119731
(2R)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)propanamide
CID 103797993
1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea
CID 103742080
3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride
CID 119817878

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-methoxy-2,2-dimethylcyclobutyl)-2-(3-methoxypropyl)guanidine?
The IUPAC name of 1-amino-3-(3-methoxy-2,2-dimethylcyclobutyl)-2-(3-methoxypropyl)guanidine (CID 114121174) is 1-amino-3-(3-methoxy-2,2-dimethylcyclobutyl)-2-(3-methoxypropyl)guanidine.
What is the SMILES notation for 1-amino-3-(3-methoxy-2,2-dimethylcyclobutyl)-2-(3-methoxypropyl)guanidine?
The canonical SMILES for 1-amino-3-(3-methoxy-2,2-dimethylcyclobutyl)-2-(3-methoxypropyl)guanidine is COCCC/N=C(\NN)NC1CC(OC)C1(C)C.
What is the InChIKey of 1-amino-3-(3-methoxy-2,2-dimethylcyclobutyl)-2-(3-methoxypropyl)guanidine?
The InChIKey is ULWVIARZFKYXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-12(2)9(8-10(12)18-4)15-11(16-13)14-6-5-7-17-3/h9-10H,5-8,13H2,1-4H3,(H2,14,15,16).
What are the key properties of 1-amino-3-(3-methoxy-2,2-dimethylcyclobutyl)-2-(3-methoxypropyl)guanidine?
1-amino-3-(3-methoxy-2,2-dimethylcyclobutyl)-2-(3-methoxypropyl)guanidine has a molecular weight of 258.37 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-methoxy-2,2-dimethylcyclobutyl)-2-(3-methoxypropyl)guanidine is sourced from PubChem (CID 114121174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).