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

C10H21N3 — CID 62861031

IUPAC1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)N(C)CC1CCC1
InChIInChI=1S/C10H21N3/c1-8(2)12-10(11)13(3)7-9-5-4-6-9/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyCNJVPKDIOLALKH-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.44
Rot. Bonds3

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

1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine (PubChem CID 62861031) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine
PubChem CID62861031
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)N(C)CC1CCC1
InChIInChI=1S/C10H21N3/c1-8(2)12-10(11)13(3)7-9-5-4-6-9/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyCNJVPKDIOLALKH-UHFFFAOYSA-N
XLogP1.44
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.44
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-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine?
The IUPAC name of 1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine (CID 62861031) is 1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine is CC(C)/N=C(\N)N(C)CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine?
The InChIKey is CNJVPKDIOLALKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-8(2)12-10(11)13(3)7-9-5-4-6-9/h8-9H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine?
1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine has a molecular weight of 183.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine is sourced from PubChem (CID 62861031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).