2-[(2S)-2,4-dimethylpentyl]-1,1,3,3-tetramethylguanidine

C12H27N3 — CID 58420222

IUPAC2-[(2S)-2,4-dimethylpentyl]-1,1,3,3-tetramethylguanidine
SMILESCC(C)C[C@H](C)CN=C(N(C)C)N(C)C
InChIInChI=1S/C12H27N3/c1-10(2)8-11(3)9-13-12(14(4)5)15(6)7/h10-11H,8-9H2,1-7H3/t11-/m0/s1
InChIKeyUPJHFYJQBCWVMU-NSHDSACASA-N
MW213.37 g/mol
LogP2.15
Rot. Bonds4

About 2-[(2S)-2,4-dimethylpentyl]-1,1,3,3-tetramethylguanidine

2-[(2S)-2,4-dimethylpentyl]-1,1,3,3-tetramethylguanidine (PubChem CID 58420222) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-[(2S)-2,4-dimethylpentyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[(2S)-2,4-dimethylpentyl]-1,1,3,3-tetramethylguanidine
PubChem CID58420222
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-[(2S)-2,4-dimethylpentyl]-1,1,3,3-tetramethylguanidine
SMILESCC(C)C[C@H](C)CN=C(N(C)C)N(C)C
InChIInChI=1S/C12H27N3/c1-10(2)8-11(3)9-13-12(14(4)5)15(6)7/h10-11H,8-9H2,1-7H3/t11-/m0/s1
InChIKeyUPJHFYJQBCWVMU-NSHDSACASA-N
XLogP2.15
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
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-[(2S)-2,4-dimethylpentyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[(2S)-2,4-dimethylpentyl]-1,1,3,3-tetramethylguanidine (CID 58420222) is 2-[(2S)-2,4-dimethylpentyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[(2S)-2,4-dimethylpentyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[(2S)-2,4-dimethylpentyl]-1,1,3,3-tetramethylguanidine is CC(C)C[C@H](C)CN=C(N(C)C)N(C)C.
What is the InChIKey of 2-[(2S)-2,4-dimethylpentyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is UPJHFYJQBCWVMU-NSHDSACASA-N. The full InChI is InChI=1S/C12H27N3/c1-10(2)8-11(3)9-13-12(14(4)5)15(6)7/h10-11H,8-9H2,1-7H3/t11-/m0/s1.
What are the key properties of 2-[(2S)-2,4-dimethylpentyl]-1,1,3,3-tetramethylguanidine?
2-[(2S)-2,4-dimethylpentyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 213.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2,4-dimethylpentyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 58420222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).