1-amino-3-(diaminomethylidene)-1-propan-2-ylguanidine

C5H14N6 — CID 144894440

IUPAC1-amino-3-(diaminomethylidene)-1-propan-2-ylguanidine
SMILES[H]/N=C(\N=C(N)N)N(N)C(C)C
InChIInChI=1S/C5H14N6/c1-3(2)11(9)5(8)10-4(6)7/h3H,9H2,1-2H3,(H5,6,7,8,10)
InChIKeyRECJINRTDXRGRW-UHFFFAOYSA-N
MW158.21 g/mol
LogP-1.22
Rot. Bonds1

About 1-amino-3-(diaminomethylidene)-1-propan-2-ylguanidine

1-amino-3-(diaminomethylidene)-1-propan-2-ylguanidine (PubChem CID 144894440) has the molecular formula C5H14N6 and a molecular weight of 158.21 g/mol. Its IUPAC name is 1-amino-3-(diaminomethylidene)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-3-(diaminomethylidene)-1-propan-2-ylguanidine
PubChem CID144894440
Molecular FormulaC5H14N6
Molecular Weight158.21 g/mol
Exact Mass158.13
IUPAC Name1-amino-3-(diaminomethylidene)-1-propan-2-ylguanidine
SMILES[H]/N=C(\N=C(N)N)N(N)C(C)C
InChIInChI=1S/C5H14N6/c1-3(2)11(9)5(8)10-4(6)7/h3H,9H2,1-2H3,(H5,6,7,8,10)
InChIKeyRECJINRTDXRGRW-UHFFFAOYSA-N
XLogP-1.22
TPSA117.51 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.21
LogP ≤ 5-1.22
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

1-Amino-1-propan-2-ylguanidine
CID 86084669
1-[Carbamimidoyl(propyl)amino]-2-propan-2-ylguanidine
CID 88620988
1-Amino-3-(diaminomethylidene)-1-propylguanidine
CID 89815659
5-Imino-1,2-di(propan-2-yl)-1,2,4-triazol-3-amine
CID 118002806
1-Amino-1-methyl-2-propan-2-ylguanidine
CID 123332022
1-Ethyl-5-imino-2-propan-2-yl-1,2,4-triazol-3-amine
CID 123563133
3,4-di(propan-2-yl)-2H-tetrazol-5-amine
CID 142639925
(E)-[amino-[amino(propan-2-yl)amino]methylidene]thiourea
CID 144561833
1-Amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine
CID 144561881
1-Amino-1-ethyl-2-methylguanidine
CID 151166246
1-[Carbamimidoyl(ethyl)amino]-2-methylguanidine
CID 151745026
5-Methyl-2-propan-2-yl-1,5-dihydro-1,2,4-triazol-3-amine
CID 153551715

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(diaminomethylidene)-1-propan-2-ylguanidine?
The IUPAC name of 1-amino-3-(diaminomethylidene)-1-propan-2-ylguanidine (CID 144894440) is 1-amino-3-(diaminomethylidene)-1-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-3-(diaminomethylidene)-1-propan-2-ylguanidine?
The canonical SMILES for 1-amino-3-(diaminomethylidene)-1-propan-2-ylguanidine is [H]/N=C(\N=C(N)N)N(N)C(C)C.
What is the InChIKey of 1-amino-3-(diaminomethylidene)-1-propan-2-ylguanidine?
The InChIKey is RECJINRTDXRGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N6/c1-3(2)11(9)5(8)10-4(6)7/h3H,9H2,1-2H3,(H5,6,7,8,10).
What are the key properties of 1-amino-3-(diaminomethylidene)-1-propan-2-ylguanidine?
1-amino-3-(diaminomethylidene)-1-propan-2-ylguanidine has a molecular weight of 158.21 g/mol, XLogP of -1.22, 1 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-propan-2-ylguanidine is sourced from PubChem (CID 144894440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).