1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine

C10H22N4 — CID 104888487

IUPAC1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\NN)NC1(C)CCC1
InChIInChI=1S/C10H22N4/c1-8(2)7-12-9(14-11)13-10(3)5-4-6-10/h8H,4-7,11H2,1-3H3,(H2,12,13,14)
InChIKeyQPZYAZMFOUVQMQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.99
Rot. Bonds3

About 1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine

1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine (PubChem CID 104888487) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine
PubChem CID104888487
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\NN)NC1(C)CCC1
InChIInChI=1S/C10H22N4/c1-8(2)7-12-9(14-11)13-10(3)5-4-6-10/h8H,4-7,11H2,1-3H3,(H2,12,13,14)
InChIKeyQPZYAZMFOUVQMQ-UHFFFAOYSA-N
XLogP0.99
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.99
H-Bond Donors ≤ 53
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-Amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine
CID 2730519
1-Amino-3-(cyclobutylmethyl)-2-methylguanidine
CID 104881990
1-Amino-2-methyl-3-(4-methylpentan-2-yl)guanidine
CID 104881993
1-Amino-2-methyl-3-(3-methylpentan-2-yl)guanidine
CID 104882076
1-Amino-2-methyl-3-(2,4,4-trimethylpentan-2-yl)guanidine
CID 104882160
1-Amino-3-(3-ethylpentan-2-yl)-2-methylguanidine
CID 104882215
1-Amino-3-(3-ethylpentan-3-yl)-2-methylguanidine
CID 104882290
1-Amino-2-methyl-3-(1-methylcyclobutyl)guanidine
CID 104882453
1-Amino-2-methyl-3-(2-methylpentan-2-yl)guanidine
CID 104882460
1-Amino-3-(1-ethylcyclobutyl)-2-methylguanidine
CID 104882464
1-Amino-3-(2-cyclobutylethyl)-2-methylguanidine
CID 104882469
1-Amino-2-methyl-3-(3-methylcyclobutyl)guanidine
CID 104882481

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine (CID 104888487) is 1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\NN)NC1(C)CCC1.
What is the InChIKey of 1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine?
The InChIKey is QPZYAZMFOUVQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-8(2)7-12-9(14-11)13-10(3)5-4-6-10/h8H,4-7,11H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine?
1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine has a molecular weight of 198.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 104888487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).