(3,3,5,5-tetramethylcyclohexyl)methanamine;hydrochloride

C11H24ClN — CID 18783159

IUPAC(3,3,5,5-tetramethylcyclohexyl)methanamine;hydrochloride
SMILESCC1(C)CC(CN)CC(C)(C)C1.Cl
InChIInChI=1S/C11H23N.ClH/c1-10(2)5-9(7-12)6-11(3,4)8-10;/h9H,5-8,12H2,1-4H3;1H
InChIKeySSJNMFPQWNHVBU-UHFFFAOYSA-N
MW205.77 g/mol
LogP3.22
Rot. Bonds1

About (3,3,5,5-tetramethylcyclohexyl)methanamine;hydrochloride

(3,3,5,5-tetramethylcyclohexyl)methanamine;hydrochloride (PubChem CID 18783159) has the molecular formula C11H24ClN and a molecular weight of 205.77 g/mol. Its IUPAC name is (3,3,5,5-tetramethylcyclohexyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3,3,5,5-tetramethylcyclohexyl)methanamine;hydrochloride
PubChem CID18783159
Molecular FormulaC11H24ClN
Molecular Weight205.77 g/mol
Exact Mass205.16
IUPAC Name(3,3,5,5-tetramethylcyclohexyl)methanamine;hydrochloride
SMILESCC1(C)CC(CN)CC(C)(C)C1.Cl
InChIInChI=1S/C11H23N.ClH/c1-10(2)5-9(7-12)6-11(3,4)8-10;/h9H,5-8,12H2,1-4H3;1H
InChIKeySSJNMFPQWNHVBU-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 (3,3,5,5-tetramethylcyclohexyl)methanamine;hydrochloride?
The IUPAC name of (3,3,5,5-tetramethylcyclohexyl)methanamine;hydrochloride (CID 18783159) is (3,3,5,5-tetramethylcyclohexyl)methanamine;hydrochloride.
What is the SMILES notation for (3,3,5,5-tetramethylcyclohexyl)methanamine;hydrochloride?
The canonical SMILES for (3,3,5,5-tetramethylcyclohexyl)methanamine;hydrochloride is CC1(C)CC(CN)CC(C)(C)C1.Cl.
What is the InChIKey of (3,3,5,5-tetramethylcyclohexyl)methanamine;hydrochloride?
The InChIKey is SSJNMFPQWNHVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.ClH/c1-10(2)5-9(7-12)6-11(3,4)8-10;/h9H,5-8,12H2,1-4H3;1H.
What are the key properties of (3,3,5,5-tetramethylcyclohexyl)methanamine;hydrochloride?
(3,3,5,5-tetramethylcyclohexyl)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 (3,3,5,5-tetramethylcyclohexyl)methanamine;hydrochloride is sourced from PubChem (CID 18783159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).