1-(4,4-dimethylpentyl)-1,2-dimethylguanidine

C10H23N3 — CID 130227424

IUPAC1-(4,4-dimethylpentyl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)CCCC(C)(C)C
InChIInChI=1S/C10H23N3/c1-10(2,3)7-6-8-13(5)9(11)12-4/h6-8H2,1-5H3,(H2,11,12)
InChIKeyRSRPTLRZQNUWGZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.69
Rot. Bonds3

About 1-(4,4-dimethylpentyl)-1,2-dimethylguanidine

1-(4,4-dimethylpentyl)-1,2-dimethylguanidine (PubChem CID 130227424) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-(4,4-dimethylpentyl)-1,2-dimethylguanidine
PubChem CID130227424
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1-(4,4-dimethylpentyl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)CCCC(C)(C)C
InChIInChI=1S/C10H23N3/c1-10(2,3)7-6-8-13(5)9(11)12-4/h6-8H2,1-5H3,(H2,11,12)
InChIKeyRSRPTLRZQNUWGZ-UHFFFAOYSA-N
XLogP1.69
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.69
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentyl)-1,2-dimethylguanidine?
The IUPAC name of 1-(4,4-dimethylpentyl)-1,2-dimethylguanidine (CID 130227424) is 1-(4,4-dimethylpentyl)-1,2-dimethylguanidine.
What is the SMILES notation for 1-(4,4-dimethylpentyl)-1,2-dimethylguanidine?
The canonical SMILES for 1-(4,4-dimethylpentyl)-1,2-dimethylguanidine is C/N=C(\N)N(C)CCCC(C)(C)C.
What is the InChIKey of 1-(4,4-dimethylpentyl)-1,2-dimethylguanidine?
The InChIKey is RSRPTLRZQNUWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-10(2,3)7-6-8-13(5)9(11)12-4/h6-8H2,1-5H3,(H2,11,12).
What are the key properties of 1-(4,4-dimethylpentyl)-1,2-dimethylguanidine?
1-(4,4-dimethylpentyl)-1,2-dimethylguanidine has a molecular weight of 185.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentyl)-1,2-dimethylguanidine is sourced from PubChem (CID 130227424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).