1-[2-[2-(diaminomethylideneamino)ethyl-(1-methoxy-2-methylpropan-2-yl)amino]ethyl]guanidine

C11H27N7O — CID 176530822

IUPAC1-[2-[2-(diaminomethylideneamino)ethyl-(1-methoxy-2-methylpropan-2-yl)amino]ethyl]guanidine
SMILES[H]/N=C(\N)NCCN(CCN=C(N)N)C(C)(C)COC
InChIInChI=1S/C11H27N7O/c1-11(2,8-19-3)18(6-4-16-9(12)13)7-5-17-10(14)15/h4-8H2,1-3H3,(H4,12,13,16)(H4,14,15,17)
InChIKeyAZNFJPOLTHYVMT-UHFFFAOYSA-N
MW273.38 g/mol
LogP-1.53
Rot. Bonds9

About 1-[2-[2-(diaminomethylideneamino)ethyl-(1-methoxy-2-methylpropan-2-yl)amino]ethyl]guanidine

1-[2-[2-(diaminomethylideneamino)ethyl-(1-methoxy-2-methylpropan-2-yl)amino]ethyl]guanidine (PubChem CID 176530822) has the molecular formula C11H27N7O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-[2-(diaminomethylideneamino)ethyl-(1-methoxy-2-methylpropan-2-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-[2-[2-(diaminomethylideneamino)ethyl-(1-methoxy-2-methylpropan-2-yl)amino]ethyl]guanidine
PubChem CID176530822
Molecular FormulaC11H27N7O
Molecular Weight273.38 g/mol
Exact Mass273.23
IUPAC Name1-[2-[2-(diaminomethylideneamino)ethyl-(1-methoxy-2-methylpropan-2-yl)amino]ethyl]guanidine
SMILES[H]/N=C(\N)NCCN(CCN=C(N)N)C(C)(C)COC
InChIInChI=1S/C11H27N7O/c1-11(2,8-19-3)18(6-4-16-9(12)13)7-5-17-10(14)15/h4-8H2,1-3H3,(H4,12,13,16)(H4,14,15,17)
InChIKeyAZNFJPOLTHYVMT-UHFFFAOYSA-N
XLogP-1.53
TPSA138.77 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-1.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(diaminomethylideneamino)ethyl-(1-methoxy-2-methylpropan-2-yl)amino]ethyl]guanidine?
The IUPAC name of 1-[2-[2-(diaminomethylideneamino)ethyl-(1-methoxy-2-methylpropan-2-yl)amino]ethyl]guanidine (CID 176530822) is 1-[2-[2-(diaminomethylideneamino)ethyl-(1-methoxy-2-methylpropan-2-yl)amino]ethyl]guanidine.
What is the SMILES notation for 1-[2-[2-(diaminomethylideneamino)ethyl-(1-methoxy-2-methylpropan-2-yl)amino]ethyl]guanidine?
The canonical SMILES for 1-[2-[2-(diaminomethylideneamino)ethyl-(1-methoxy-2-methylpropan-2-yl)amino]ethyl]guanidine is [H]/N=C(\N)NCCN(CCN=C(N)N)C(C)(C)COC.
What is the InChIKey of 1-[2-[2-(diaminomethylideneamino)ethyl-(1-methoxy-2-methylpropan-2-yl)amino]ethyl]guanidine?
The InChIKey is AZNFJPOLTHYVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N7O/c1-11(2,8-19-3)18(6-4-16-9(12)13)7-5-17-10(14)15/h4-8H2,1-3H3,(H4,12,13,16)(H4,14,15,17).
What are the key properties of 1-[2-[2-(diaminomethylideneamino)ethyl-(1-methoxy-2-methylpropan-2-yl)amino]ethyl]guanidine?
1-[2-[2-(diaminomethylideneamino)ethyl-(1-methoxy-2-methylpropan-2-yl)amino]ethyl]guanidine has a molecular weight of 273.38 g/mol, XLogP of -1.53, 9 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(diaminomethylideneamino)ethyl-(1-methoxy-2-methylpropan-2-yl)amino]ethyl]guanidine is sourced from PubChem (CID 176530822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).