1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine

C10H22N4 — CID 105418711

IUPAC1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C10H22N4/c1-12-9(11)14(4)8-10(13(2)3)6-5-7-10/h5-8H2,1-4H3,(H2,11,12)
InChIKeyXTUZCELSIPHGKY-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.35
Rot. Bonds3

About 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine

1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine (PubChem CID 105418711) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine
PubChem CID105418711
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C10H22N4/c1-12-9(11)14(4)8-10(13(2)3)6-5-7-10/h5-8H2,1-4H3,(H2,11,12)
InChIKeyXTUZCELSIPHGKY-UHFFFAOYSA-N
XLogP0.35
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-2-phenylguanidine
CID 105418714
1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide
CID 105418040
1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea
CID 105413660
(2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide
CID 105417719
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide
CID 105419946
4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
CID 105418027
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propanamide
CID 105416404
7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide
CID 105417687
1-ethyl-1,2-dimethylguanidine
CID 21191499
2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 105417448
1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-propylthiourea
CID 105413556
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 105413918

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine (CID 105418711) is 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine is C/N=C(\N)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine?
The InChIKey is XTUZCELSIPHGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-12-9(11)14(4)8-10(13(2)3)6-5-7-10/h5-8H2,1-4H3,(H2,11,12).
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine?
1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine has a molecular weight of 198.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine is sourced from PubChem (CID 105418711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).