1-butyl-1-tert-butyl-2-carbamimidoylguanidine

C10H23N5 — CID 176525602

IUPAC1-butyl-1-tert-butyl-2-carbamimidoylguanidine
SMILES[H]/N=C(\N)N=C(N)N(CCCC)C(C)(C)C
InChIInChI=1S/C10H23N5/c1-5-6-7-15(10(2,3)4)9(13)14-8(11)12/h5-7H2,1-4H3,(H5,11,12,13,14)
InChIKeyKJAJVTVPNNVRIT-UHFFFAOYSA-N
MW213.33 g/mol
LogP1.10
Rot. Bonds3

About 1-butyl-1-tert-butyl-2-carbamimidoylguanidine

1-butyl-1-tert-butyl-2-carbamimidoylguanidine (PubChem CID 176525602) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is 1-butyl-1-tert-butyl-2-carbamimidoylguanidine.

Molecular Properties

Compound Name1-butyl-1-tert-butyl-2-carbamimidoylguanidine
PubChem CID176525602
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC Name1-butyl-1-tert-butyl-2-carbamimidoylguanidine
SMILES[H]/N=C(\N)N=C(N)N(CCCC)C(C)(C)C
InChIInChI=1S/C10H23N5/c1-5-6-7-15(10(2,3)4)9(13)14-8(11)12/h5-7H2,1-4H3,(H5,11,12,13,14)
InChIKeyKJAJVTVPNNVRIT-UHFFFAOYSA-N
XLogP1.10
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 51.10
H-Bond Donors ≤ 53
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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Related Compounds

1-tert-butyl-2-carbamimidoyl-1-propylguanidine
CID 176525603
2-carbamimidoyl-1,1-dipentylguanidine;hydrochloride
CID 176530565
2-carbamimidoyl-1-methyl-1-tridecylguanidine;hydrochloride
CID 176529990
2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride
CID 176518115
2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride
CID 176546682
2-carbamimidoyl-1-cuban-1-yl-1-hexylguanidine
CID 176528162
2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride
CID 176531718
2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid
CID 176517010
2-carbamimidoyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 176546898
2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine
CID 176547026
butyl N'-carbamimidoylcarbamimidothioate;hydrobromide
CID 176518902
2-carbamimidoyl-1-(2-cyanoethyl)-1-methylguanidine
CID 176546720

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-tert-butyl-2-carbamimidoylguanidine?
The IUPAC name of 1-butyl-1-tert-butyl-2-carbamimidoylguanidine (CID 176525602) is 1-butyl-1-tert-butyl-2-carbamimidoylguanidine.
What is the SMILES notation for 1-butyl-1-tert-butyl-2-carbamimidoylguanidine?
The canonical SMILES for 1-butyl-1-tert-butyl-2-carbamimidoylguanidine is [H]/N=C(\N)N=C(N)N(CCCC)C(C)(C)C.
What is the InChIKey of 1-butyl-1-tert-butyl-2-carbamimidoylguanidine?
The InChIKey is KJAJVTVPNNVRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5/c1-5-6-7-15(10(2,3)4)9(13)14-8(11)12/h5-7H2,1-4H3,(H5,11,12,13,14).
What are the key properties of 1-butyl-1-tert-butyl-2-carbamimidoylguanidine?
1-butyl-1-tert-butyl-2-carbamimidoylguanidine has a molecular weight of 213.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-tert-butyl-2-carbamimidoylguanidine is sourced from PubChem (CID 176525602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).