2-(2,3,3,4-tetramethylheptadecan-2-yl)guanidine

C22H47N3 — CID 87807871

IUPAC2-(2,3,3,4-tetramethylheptadecan-2-yl)guanidine
SMILESCCCCCCCCCCCCCC(C)C(C)(C)C(C)(C)N=C(N)N
InChIInChI=1S/C22H47N3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19(2)21(3,4)22(5,6)25-20(23)24/h19H,7-18H2,1-6H3,(H4,23,24,25)
InChIKeyAVQLYLXRJIHGCW-UHFFFAOYSA-N
MW353.64 g/mol
LogP6.40
Rot. Bonds15

About 2-(2,3,3,4-tetramethylheptadecan-2-yl)guanidine

2-(2,3,3,4-tetramethylheptadecan-2-yl)guanidine (PubChem CID 87807871) has the molecular formula C22H47N3 and a molecular weight of 353.64 g/mol. Its IUPAC name is 2-(2,3,3,4-tetramethylheptadecan-2-yl)guanidine.

Molecular Properties

Compound Name2-(2,3,3,4-tetramethylheptadecan-2-yl)guanidine
PubChem CID87807871
Molecular FormulaC22H47N3
Molecular Weight353.64 g/mol
Exact Mass353.38
IUPAC Name2-(2,3,3,4-tetramethylheptadecan-2-yl)guanidine
SMILESCCCCCCCCCCCCCC(C)C(C)(C)C(C)(C)N=C(N)N
InChIInChI=1S/C22H47N3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19(2)21(3,4)22(5,6)25-20(23)24/h19H,7-18H2,1-6H3,(H4,23,24,25)
InChIKeyAVQLYLXRJIHGCW-UHFFFAOYSA-N
XLogP6.40
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,3,3,4-tetramethylheptadecan-2-yl)guanidine 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

2-amino-3-methylheptadecan-2-ol
CID 88695872
2,3-dimethylhexadecan-2-amine
CID 87479269
3-methylheptadecane-2,2-diamine
CID 141040528
2,2,3-trimethylundecane
CID 21285055
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
2-aminosulfanyl-3-methylpentadecan-2-ol
CID 175094628
3-ethenyl-3,4,4,5-tetramethyldodec-1-ene
CID 151006143
2,3-dimethylnonadecan-2-ylsilane
CID 175060938
2,3,3,4-tetramethylnonadecane
CID 174953704
2-chloro-2,3-dimethyltridecane
CID 87222996
2,3-dimethyltridecane-2-thiol
CID 175066611
2-iodo-2,3-dimethylnonane
CID 157257011

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3,4-tetramethylheptadecan-2-yl)guanidine?
The IUPAC name of 2-(2,3,3,4-tetramethylheptadecan-2-yl)guanidine (CID 87807871) is 2-(2,3,3,4-tetramethylheptadecan-2-yl)guanidine.
What is the SMILES notation for 2-(2,3,3,4-tetramethylheptadecan-2-yl)guanidine?
The canonical SMILES for 2-(2,3,3,4-tetramethylheptadecan-2-yl)guanidine is CCCCCCCCCCCCCC(C)C(C)(C)C(C)(C)N=C(N)N.
What is the InChIKey of 2-(2,3,3,4-tetramethylheptadecan-2-yl)guanidine?
The InChIKey is AVQLYLXRJIHGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19(2)21(3,4)22(5,6)25-20(23)24/h19H,7-18H2,1-6H3,(H4,23,24,25).
What are the key properties of 2-(2,3,3,4-tetramethylheptadecan-2-yl)guanidine?
2-(2,3,3,4-tetramethylheptadecan-2-yl)guanidine has a molecular weight of 353.64 g/mol, XLogP of 6.40, 15 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3,4-tetramethylheptadecan-2-yl)guanidine is sourced from PubChem (CID 87807871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).