(4-tert-butylcyclohexyl)methanamine;hydrochloride

C11H24ClN — CID 12568254

IUPAC(4-tert-butylcyclohexyl)methanamine;hydrochloride
SMILESCC(C)(C)C1CCC(CN)CC1.Cl
InChIInChI=1S/C11H23N.ClH/c1-11(2,3)10-6-4-9(8-12)5-7-10;/h9-10H,4-8,12H2,1-3H3;1H
InChIKeyIDTNJLBAFOLXFR-UHFFFAOYSA-N
MW205.77 g/mol
LogP3.22
Rot. Bonds1

About (4-tert-butylcyclohexyl)methanamine;hydrochloride

(4-tert-butylcyclohexyl)methanamine;hydrochloride (PubChem CID 12568254) has the molecular formula C11H24ClN and a molecular weight of 205.77 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)methanamine;hydrochloride
PubChem CID12568254
Molecular FormulaC11H24ClN
Molecular Weight205.77 g/mol
Exact Mass205.16
IUPAC Name(4-tert-butylcyclohexyl)methanamine;hydrochloride
SMILESCC(C)(C)C1CCC(CN)CC1.Cl
InChIInChI=1S/C11H23N.ClH/c1-11(2,3)10-6-4-9(8-12)5-7-10;/h9-10H,4-8,12H2,1-3H3;1H
InChIKeyIDTNJLBAFOLXFR-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.77
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)methanamine;hydrochloride?
The IUPAC name of (4-tert-butylcyclohexyl)methanamine;hydrochloride (CID 12568254) is (4-tert-butylcyclohexyl)methanamine;hydrochloride.
What is the SMILES notation for (4-tert-butylcyclohexyl)methanamine;hydrochloride?
The canonical SMILES for (4-tert-butylcyclohexyl)methanamine;hydrochloride is CC(C)(C)C1CCC(CN)CC1.Cl.
What is the InChIKey of (4-tert-butylcyclohexyl)methanamine;hydrochloride?
The InChIKey is IDTNJLBAFOLXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.ClH/c1-11(2,3)10-6-4-9(8-12)5-7-10;/h9-10H,4-8,12H2,1-3H3;1H.
What are the key properties of (4-tert-butylcyclohexyl)methanamine;hydrochloride?
(4-tert-butylcyclohexyl)methanamine;hydrochloride has a molecular weight of 205.77 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)methanamine;hydrochloride is sourced from PubChem (CID 12568254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).