2-tert-butyl-1-methyl-1-pentylguanidine

C11H25N3 — CID 62359388

IUPAC2-tert-butyl-1-methyl-1-pentylguanidine
SMILESCCCCCN(C)/C(N)=N/C(C)(C)C
InChIInChI=1S/C11H25N3/c1-6-7-8-9-14(5)10(12)13-11(2,3)4/h6-9H2,1-5H3,(H2,12,13)
InChIKeyRDQOEHZHIYTARF-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.22
Rot. Bonds4

About 2-tert-butyl-1-methyl-1-pentylguanidine

2-tert-butyl-1-methyl-1-pentylguanidine (PubChem CID 62359388) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-1-pentylguanidine.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-1-pentylguanidine
PubChem CID62359388
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name2-tert-butyl-1-methyl-1-pentylguanidine
SMILESCCCCCN(C)/C(N)=N/C(C)(C)C
InChIInChI=1S/C11H25N3/c1-6-7-8-9-14(5)10(12)13-11(2,3)4/h6-9H2,1-5H3,(H2,12,13)
InChIKeyRDQOEHZHIYTARF-UHFFFAOYSA-N
XLogP2.22
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-tert-butyl-1-methyl-1-(2-methylsulfanylethyl)guanidine
CID 112660655
2-cyano-1-dodecyl-1-methylguanidine
CID 86121345
2-tert-butyl-1-methyl-1-(2-pyrrolidin-1-ylethyl)guanidine
CID 63208709
2-carbamimidoyl-1-methyl-1-tridecylguanidine;hydrochloride
CID 176529990
1-heptyl-1-methylthiourea
CID 10241584
2-tert-butyl-1-(2,2-difluoroethyl)-1-methylguanidine
CID 115629715
(Z)-N'-hexyl-N'-methylbut-2-enediamide
CID 87339309
1-butyl-1-methyl-2-(2-methylpropyl)guanidine
CID 62360457
2-amino-N,2-dimethyl-N-pentylpentanamide
CID 60848756
N-hexyl-N-methylcarbamoyl chloride
CID 23509235
2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine
CID 174660091
3-(diaminomethylidene)-1-methyl-1-octadecylguanidine
CID 3641541

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methyl-1-pentylguanidine?
The IUPAC name of 2-tert-butyl-1-methyl-1-pentylguanidine (CID 62359388) is 2-tert-butyl-1-methyl-1-pentylguanidine.
What is the SMILES notation for 2-tert-butyl-1-methyl-1-pentylguanidine?
The canonical SMILES for 2-tert-butyl-1-methyl-1-pentylguanidine is CCCCCN(C)/C(N)=N/C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methyl-1-pentylguanidine?
The InChIKey is RDQOEHZHIYTARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-6-7-8-9-14(5)10(12)13-11(2,3)4/h6-9H2,1-5H3,(H2,12,13).
What are the key properties of 2-tert-butyl-1-methyl-1-pentylguanidine?
2-tert-butyl-1-methyl-1-pentylguanidine has a molecular weight of 199.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-1-pentylguanidine is sourced from PubChem (CID 62359388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).