1-amino-3-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine

C9H20N4O — CID 104885101

IUPAC1-amino-3-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine
SMILESCOCC(C)C/N=C(\NN)NC1CC1
InChIInChI=1S/C9H20N4O/c1-7(6-14-2)5-11-9(13-10)12-8-3-4-8/h7-8H,3-6,10H2,1-2H3,(H2,11,12,13)
InChIKeyDARHZYZJOQPNCX-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.16
Rot. Bonds5

About 1-amino-3-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine

1-amino-3-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine (PubChem CID 104885101) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-amino-3-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine
PubChem CID104885101
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name1-amino-3-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine
SMILESCOCC(C)C/N=C(\NN)NC1CC1
InChIInChI=1S/C9H20N4O/c1-7(6-14-2)5-11-9(13-10)12-8-3-4-8/h7-8H,3-6,10H2,1-2H3,(H2,11,12,13)
InChIKeyDARHZYZJOQPNCX-UHFFFAOYSA-N
XLogP-0.16
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine
CID 62363573
1-amino-3-cyclopropyl-2-(2-ethoxypropyl)guanidine
CID 104888647
1,3-diethyl-2-[(2S)-3-methoxy-2-methylpropyl]guanidine
CID 124628881
1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine
CID 104883732
1-amino-3-cyclopropyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885808
1-amino-3-(1-methoxypropan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 104885769
1-amino-3-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
CID 114128970
1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine
CID 104887133
1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
CID 106296453
1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine
CID 104885819
2-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N-methylacetamide
CID 104883713
1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 104885498

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine?
The IUPAC name of 1-amino-3-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine (CID 104885101) is 1-amino-3-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine?
The canonical SMILES for 1-amino-3-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine is COCC(C)C/N=C(\NN)NC1CC1.
What is the InChIKey of 1-amino-3-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine?
The InChIKey is DARHZYZJOQPNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-7(6-14-2)5-11-9(13-10)12-8-3-4-8/h7-8H,3-6,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-amino-3-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine?
1-amino-3-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine has a molecular weight of 200.29 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine is sourced from PubChem (CID 104885101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).