1-amino-3-(diaminomethylidene)-1-(3-methoxypropyl)guanidine;ethane

C8H22N6O — CID 144561894

IUPAC1-amino-3-(diaminomethylidene)-1-(3-methoxypropyl)guanidine;ethane
SMILESCC.[H]/N=C(\N=C(N)N)N(N)CCCOC
InChIInChI=1S/C6H16N6O.C2H6/c1-13-4-2-3-12(10)6(9)11-5(7)8;1-2/h2-4,10H2,1H3,(H5,7,8,9,11);1-2H3
InChIKeyOFGWHLWMRJYZGP-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.57
Rot. Bonds4

About 1-amino-3-(diaminomethylidene)-1-(3-methoxypropyl)guanidine;ethane

1-amino-3-(diaminomethylidene)-1-(3-methoxypropyl)guanidine;ethane (PubChem CID 144561894) has the molecular formula C8H22N6O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-amino-3-(diaminomethylidene)-1-(3-methoxypropyl)guanidine;ethane.

Molecular Properties

Compound Name1-amino-3-(diaminomethylidene)-1-(3-methoxypropyl)guanidine;ethane
PubChem CID144561894
Molecular FormulaC8H22N6O
Molecular Weight218.30 g/mol
Exact Mass218.19
IUPAC Name1-amino-3-(diaminomethylidene)-1-(3-methoxypropyl)guanidine;ethane
SMILESCC.[H]/N=C(\N=C(N)N)N(N)CCCOC
InChIInChI=1S/C6H16N6O.C2H6/c1-13-4-2-3-12(10)6(9)11-5(7)8;1-2/h2-4,10H2,1H3,(H5,7,8,9,11);1-2H3
InChIKeyOFGWHLWMRJYZGP-UHFFFAOYSA-N
XLogP-0.57
TPSA126.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
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

3-Amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-(3-methoxypropyl)guanidine
CID 102999138
3-Amino-1-(3-methoxypropyl)-1,2-dimethylguanidine
CID 104882200
3-Amino-1,1-diethyl-2-(3-methoxypropyl)guanidine
CID 104883253
3-Amino-2-(3-ethoxypropyl)-1,1-dipropylguanidine
CID 104883379
3-Amino-2-(3-methoxypropyl)-1,1-dipropylguanidine
CID 104883382
3-Amino-1-butyl-2-(3-ethoxypropyl)-1-methylguanidine
CID 104883400
3-Amino-1-butyl-2-(3-methoxypropyl)-1-methylguanidine
CID 104883404
3-Amino-1-butyl-1-ethyl-2-(3-methoxypropyl)guanidine
CID 104883416
3-Amino-1,1-dibutyl-2-(3-methoxypropyl)guanidine
CID 104883457
3-Amino-2-(3-ethoxypropyl)-1-ethyl-1-methylguanidine
CID 104883506
3-Amino-1-ethyl-2-(3-methoxypropyl)-1-methylguanidine
CID 104883509
3-Amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine
CID 104883516

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(diaminomethylidene)-1-(3-methoxypropyl)guanidine;ethane?
The IUPAC name of 1-amino-3-(diaminomethylidene)-1-(3-methoxypropyl)guanidine;ethane (CID 144561894) is 1-amino-3-(diaminomethylidene)-1-(3-methoxypropyl)guanidine;ethane.
What is the SMILES notation for 1-amino-3-(diaminomethylidene)-1-(3-methoxypropyl)guanidine;ethane?
The canonical SMILES for 1-amino-3-(diaminomethylidene)-1-(3-methoxypropyl)guanidine;ethane is CC.[H]/N=C(\N=C(N)N)N(N)CCCOC.
What is the InChIKey of 1-amino-3-(diaminomethylidene)-1-(3-methoxypropyl)guanidine;ethane?
The InChIKey is OFGWHLWMRJYZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N6O.C2H6/c1-13-4-2-3-12(10)6(9)11-5(7)8;1-2/h2-4,10H2,1H3,(H5,7,8,9,11);1-2H3.
What are the key properties of 1-amino-3-(diaminomethylidene)-1-(3-methoxypropyl)guanidine;ethane?
1-amino-3-(diaminomethylidene)-1-(3-methoxypropyl)guanidine;ethane has a molecular weight of 218.30 g/mol, XLogP of -0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(diaminomethylidene)-1-(3-methoxypropyl)guanidine;ethane is sourced from PubChem (CID 144561894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).