3-amino-1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine

C10H22N4 — CID 104882569

IUPAC3-amino-1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\NN)N(C)CC1CCC1
InChIInChI=1S/C10H22N4/c1-8(2)12-10(13-11)14(3)7-9-5-4-6-9/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyXPCSZVCTOHBBAX-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.95
Rot. Bonds3

About 3-amino-1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine

3-amino-1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine (PubChem CID 104882569) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-amino-1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine.

Molecular Properties

Compound Name3-amino-1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine
PubChem CID104882569
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name3-amino-1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\NN)N(C)CC1CCC1
InChIInChI=1S/C10H22N4/c1-8(2)12-10(13-11)14(3)7-9-5-4-6-9/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyXPCSZVCTOHBBAX-UHFFFAOYSA-N
XLogP0.95
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(Cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine
CID 62861031
3-Amino-1-(cyclobutylmethyl)-1,2-dimethylguanidine
CID 104881908
3-Amino-1,2-dimethyl-1-pentylguanidine
CID 104881986
3-Amino-1,2-dimethyl-1-(2-methylbutyl)guanidine
CID 104881987
3-Amino-1-(1-cyclopropylethyl)-1,2-dimethylguanidine
CID 104882009
3-Amino-1,2-dimethyl-1-pentan-3-ylguanidine
CID 104882017
3-Amino-1,2-dimethyl-1-pentan-2-ylguanidine
CID 104882018
3-Amino-1,2-dimethyl-1-(3-methylbutan-2-yl)guanidine
CID 104882019
3-Amino-1-ethyl-1-(2-ethylbutyl)-2-methylguanidine
CID 104882091
3-Amino-2-methyl-1-pentyl-1-propan-2-ylguanidine
CID 104882122
3-Amino-1,2-dimethyl-1-(4-methylpentan-2-yl)guanidine
CID 104882147
3-Amino-2-methyl-1-(2-methylpropyl)-1-propan-2-ylguanidine
CID 104882153

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine?
The IUPAC name of 3-amino-1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine (CID 104882569) is 3-amino-1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine.
What is the SMILES notation for 3-amino-1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine?
The canonical SMILES for 3-amino-1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine is CC(C)/N=C(\NN)N(C)CC1CCC1.
What is the InChIKey of 3-amino-1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine?
The InChIKey is XPCSZVCTOHBBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-8(2)12-10(13-11)14(3)7-9-5-4-6-9/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 3-amino-1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine?
3-amino-1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine has a molecular weight of 198.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine is sourced from PubChem (CID 104882569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).