N-(diaminomethylidene)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C9H17N3O — CID 11401163

IUPACN-(diaminomethylidene)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)N=C(N)N)C1(C)C
InChIInChI=1S/C9H17N3O/c1-8(2)5(9(8,3)4)6(13)12-7(10)11/h5H,1-4H3,(H4,10,11,12,13)
InChIKeyLAMNRKHSTBUMMZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.47
Rot. Bonds1

About N-(diaminomethylidene)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(diaminomethylidene)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 11401163) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(diaminomethylidene)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID11401163
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(diaminomethylidene)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)N=C(N)N)C1(C)C
InChIInChI=1S/C9H17N3O/c1-8(2)5(9(8,3)4)6(13)12-7(10)11/h5H,1-4H3,(H4,10,11,12,13)
InChIKeyLAMNRKHSTBUMMZ-UHFFFAOYSA-N
XLogP0.47
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 N-(diaminomethylidene)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(diaminomethylidene)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 11401163) is N-(diaminomethylidene)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)N=C(N)N)C1(C)C.
What is the InChIKey of N-(diaminomethylidene)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is LAMNRKHSTBUMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(2)5(9(8,3)4)6(13)12-7(10)11/h5H,1-4H3,(H4,10,11,12,13).
What are the key properties of N-(diaminomethylidene)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(diaminomethylidene)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 11401163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).