3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine

C7H18N4 — CID 104883395

IUPAC3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(/NN)N(C)C
InChIInChI=1S/C7H18N4/c1-6(2)5-9-7(10-8)11(3)4/h6H,5,8H2,1-4H3,(H,9,10)
InChIKeyLALMZWHFXNRUBI-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.02
Rot. Bonds2

About 3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine

3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine (PubChem CID 104883395) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is 3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine
PubChem CID104883395
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC Name3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(/NN)N(C)C
InChIInChI=1S/C7H18N4/c1-6(2)5-9-7(10-8)11(3)4/h6H,5,8H2,1-4H3,(H,9,10)
InChIKeyLALMZWHFXNRUBI-UHFFFAOYSA-N
XLogP0.02
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.02
H-Bond Donors ≤ 52
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

3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine
CID 104883606
3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine
CID 104883501
3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine
CID 116512868
3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine
CID 104883817
3-amino-1-(4-methoxyphenyl)-1-methyl-2-(2-methylpropyl)guanidine
CID 116514243
3-amino-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-(2-methylpropyl)guanidine
CID 104885186
3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine
CID 104884602
3-amino-1-butyl-2-(2-methylpropyl)-1-phenylguanidine
CID 116515566
3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine
CID 104885141
N,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide
CID 62363808
1-amino-3-(3-methylbutyl)-2-(2-methylpropyl)guanidine
CID 104882994
1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine
CID 104882850

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine?
The IUPAC name of 3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine (CID 104883395) is 3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine?
The canonical SMILES for 3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine is CC(C)C/N=C(/NN)N(C)C.
What is the InChIKey of 3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine?
The InChIKey is LALMZWHFXNRUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4/c1-6(2)5-9-7(10-8)11(3)4/h6H,5,8H2,1-4H3,(H,9,10).
What are the key properties of 3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine?
3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine has a molecular weight of 158.25 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 104883395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).