1,1,3,3-tetratert-butylguanidine

C17H37N3 — CID 121302600

IUPAC1,1,3,3-tetratert-butylguanidine
SMILES[H]N=C(N(C(C)(C)C)C(C)(C)C)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H37N3/c1-14(2,3)19(15(4,5)6)13(18)20(16(7,8)9)17(10,11)12/h18H,1-12H3
InChIKeyVRFQXFHDQCDVLE-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.72
Rot. Bonds

About 1,1,3,3-tetratert-butylguanidine

1,1,3,3-tetratert-butylguanidine (PubChem CID 121302600) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 1,1,3,3-tetratert-butylguanidine.

Molecular Properties

Compound Name1,1,3,3-tetratert-butylguanidine
PubChem CID121302600
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name1,1,3,3-tetratert-butylguanidine
SMILES[H]N=C(N(C(C)(C)C)C(C)(C)C)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H37N3/c1-14(2,3)19(15(4,5)6)13(18)20(16(7,8)9)17(10,11)12/h18H,1-12H3
InChIKeyVRFQXFHDQCDVLE-UHFFFAOYSA-N
XLogP4.72
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,3,3-tetratert-butylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,3,3-tetrakis(2,4,4-trimethylpentan-2-yl)guanidine
CID 121302597
1,1,3,3-tetrakis(2-methyloctan-2-yl)guanidine
CID 121302639
N,N-ditert-butyl-4,4-dimethylpent-1-en-2-amine
CID 159964580
N,N-ditert-butyl-2,2-dimethylpropanamide
CID 58613636
2-(ditert-butylamino)-2-iminoacetic acid
CID 87352369
methyl N,N-ditert-butylcarbamate
CID 12567954
4-bromo-N,N-ditert-butylbutanamide
CID 134202190
CID 175177684
CID 175177684
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
tert-butyl-(2-methyl-4-oxobutan-2-yl)carbamic acid
CID 87302687
tert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid
CID 89123802
tert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid
CID 45092001

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetratert-butylguanidine?
The IUPAC name of 1,1,3,3-tetratert-butylguanidine (CID 121302600) is 1,1,3,3-tetratert-butylguanidine.
What is the SMILES notation for 1,1,3,3-tetratert-butylguanidine?
The canonical SMILES for 1,1,3,3-tetratert-butylguanidine is [H]N=C(N(C(C)(C)C)C(C)(C)C)N(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1,1,3,3-tetratert-butylguanidine?
The InChIKey is VRFQXFHDQCDVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-14(2,3)19(15(4,5)6)13(18)20(16(7,8)9)17(10,11)12/h18H,1-12H3.
What are the key properties of 1,1,3,3-tetratert-butylguanidine?
1,1,3,3-tetratert-butylguanidine has a molecular weight of 283.50 g/mol, XLogP of 4.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetratert-butylguanidine is sourced from PubChem (CID 121302600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).