2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]guanidine

C10H21N3 — CID 79350044

IUPAC2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]guanidine
SMILESC/N=C(\N)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C10H21N3/c1-9(2)7(10(9,3)4)6-13-8(11)12-5/h7H,6H2,1-5H3,(H3,11,12,13)
InChIKeyZHQNZVPVPUOBAW-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.20
Rot. Bonds2

About 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]guanidine

2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]guanidine (PubChem CID 79350044) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]guanidine
PubChem CID79350044
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]guanidine
SMILESC/N=C(\N)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C10H21N3/c1-9(2)7(10(9,3)4)6-13-8(11)12-5/h7H,6H2,1-5H3,(H3,11,12,13)
InChIKeyZHQNZVPVPUOBAW-UHFFFAOYSA-N
XLogP1.20
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.20
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 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]guanidine (CID 79350044) is 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]guanidine is C/N=C(\N)NCC1C(C)(C)C1(C)C.
What is the InChIKey of 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]guanidine?
The InChIKey is ZHQNZVPVPUOBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-9(2)7(10(9,3)4)6-13-8(11)12-5/h7H,6H2,1-5H3,(H3,11,12,13).
What are the key properties of 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]guanidine?
2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]guanidine has a molecular weight of 183.30 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]guanidine is sourced from PubChem (CID 79350044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).