1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride

C10H20ClN — CID 134690905

IUPAC1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride
SMILESC1CC(CNCC2CCC2)C1.Cl
InChIInChI=1S/C10H19N.ClH/c1-3-9(4-1)7-11-8-10-5-2-6-10;/h9-11H,1-8H2;1H
InChIKeyWQLMONWIIOCTQX-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.60
Rot. Bonds4

About 1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride

1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride (PubChem CID 134690905) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is 1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride
PubChem CID134690905
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride
SMILESC1CC(CNCC2CCC2)C1.Cl
InChIInChI=1S/C10H19N.ClH/c1-3-9(4-1)7-11-8-10-5-2-6-10;/h9-11H,1-8H2;1H
InChIKeyWQLMONWIIOCTQX-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride (CID 134690905) is 1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride is C1CC(CNCC2CCC2)C1.Cl.
What is the InChIKey of 1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride?
The InChIKey is WQLMONWIIOCTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.ClH/c1-3-9(4-1)7-11-8-10-5-2-6-10;/h9-11H,1-8H2;1H.
What are the key properties of 1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride?
1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride has a molecular weight of 189.73 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 134690905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).