1-amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane

C8H22N6 — CID 144561806

IUPAC1-amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane
SMILESCC.[H]/N=C(\N=C(N)N)N(N)CC(C)C
InChIInChI=1S/C6H16N6.C2H6/c1-4(2)3-12(10)6(9)11-5(7)8;1-2/h4H,3,10H2,1-2H3,(H5,7,8,9,11);1-2H3
InChIKeyCDINOBFVBSKZHE-UHFFFAOYSA-N
MW202.31 g/mol
LogP0.05
Rot. Bonds2

About 1-amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane

1-amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane (PubChem CID 144561806) has the molecular formula C8H22N6 and a molecular weight of 202.31 g/mol. Its IUPAC name is 1-amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane.

Molecular Properties

Compound Name1-amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane
PubChem CID144561806
Molecular FormulaC8H22N6
Molecular Weight202.31 g/mol
Exact Mass202.19
IUPAC Name1-amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane
SMILESCC.[H]/N=C(\N=C(N)N)N(N)CC(C)C
InChIInChI=1S/C6H16N6.C2H6/c1-4(2)3-12(10)6(9)11-5(7)8;1-2/h4H,3,10H2,1-2H3,(H5,7,8,9,11);1-2H3
InChIKeyCDINOBFVBSKZHE-UHFFFAOYSA-N
XLogP0.05
TPSA117.51 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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

N'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane
CID 144561770
1-[Carbamimidoyl(propyl)amino]-2-propan-2-ylguanidine
CID 88620988
1-butyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]guanidine
CID 88621459
1-Amino-3-(diaminomethylidene)-1-propylguanidine
CID 89815659
1-Amino-1-(2-methylpropyl)guanidine
CID 141113100
1-Amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine
CID 144561881
(E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea;ethane
CID 144894431
1-Amino-2-carbamimidoyl-1-propylguanidine
CID 176519542
1-butyl-1-[(N'-carbamimidoylcarbamimidoyl)amino]-3-(diaminomethylidene)guanidine
CID 176534110
3-Amino-1-ethyl-2-methyl-1-(2-methylpropyl)guanidine
CID 104881973
3-Amino-1,2-dimethyl-1-(2-methylpropyl)guanidine
CID 104881978
3-Amino-2-methyl-1,1-bis(2-methylpropyl)guanidine
CID 104882053

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane?
The IUPAC name of 1-amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane (CID 144561806) is 1-amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane.
What is the SMILES notation for 1-amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane?
The canonical SMILES for 1-amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane is CC.[H]/N=C(\N=C(N)N)N(N)CC(C)C.
What is the InChIKey of 1-amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane?
The InChIKey is CDINOBFVBSKZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N6.C2H6/c1-4(2)3-12(10)6(9)11-5(7)8;1-2/h4H,3,10H2,1-2H3,(H5,7,8,9,11);1-2H3.
What are the key properties of 1-amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane?
1-amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane has a molecular weight of 202.31 g/mol, XLogP of 0.05, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane is sourced from PubChem (CID 144561806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).