cis-(1R,5R)-1,3,3-trimethyl-5-propan-2-ylcyclohexan-1-amine;hydrochloride

C12H26ClN — CID 66838571

IUPACcis-(1R,5R)-1,3,3-trimethyl-5-propan-2-ylcyclohexan-1-amine;hydrochloride
SMILESCC(C)[C@@H]1CC(C)(C)C[C@](C)(N)C1.Cl
InChIInChI=1S/C12H25N.ClH/c1-9(2)10-6-11(3,4)8-12(5,13)7-10;/h9-10H,6-8,13H2,1-5H3;1H/t10-,12-;/m1./s1
InChIKeyGFONQSPWZVKHIM-MHDYBILJSA-N
MW219.80 g/mol
LogP3.61
Rot. Bonds1

About cis-(1R,5R)-1,3,3-trimethyl-5-propan-2-ylcyclohexan-1-amine;hydrochloride

cis-(1R,5R)-1,3,3-trimethyl-5-propan-2-ylcyclohexan-1-amine;hydrochloride (PubChem CID 66838571) has the molecular formula C12H26ClN and a molecular weight of 219.80 g/mol. Its IUPAC name is cis-(1R,5R)-1,3,3-trimethyl-5-propan-2-ylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1R,5R)-1,3,3-trimethyl-5-propan-2-ylcyclohexan-1-amine;hydrochloride
PubChem CID66838571
Molecular FormulaC12H26ClN
Molecular Weight219.80 g/mol
Exact Mass219.18
IUPAC Namecis-(1R,5R)-1,3,3-trimethyl-5-propan-2-ylcyclohexan-1-amine;hydrochloride
SMILESCC(C)[C@@H]1CC(C)(C)C[C@](C)(N)C1.Cl
InChIInChI=1S/C12H25N.ClH/c1-9(2)10-6-11(3,4)8-12(5,13)7-10;/h9-10H,6-8,13H2,1-5H3;1H/t10-,12-;/m1./s1
InChIKeyGFONQSPWZVKHIM-MHDYBILJSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.80
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,5R)-1,3,3-trimethyl-5-propan-2-ylcyclohexan-1-amine;hydrochloride?
The IUPAC name of cis-(1R,5R)-1,3,3-trimethyl-5-propan-2-ylcyclohexan-1-amine;hydrochloride (CID 66838571) is cis-(1R,5R)-1,3,3-trimethyl-5-propan-2-ylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1R,5R)-1,3,3-trimethyl-5-propan-2-ylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for cis-(1R,5R)-1,3,3-trimethyl-5-propan-2-ylcyclohexan-1-amine;hydrochloride is CC(C)[C@@H]1CC(C)(C)C[C@](C)(N)C1.Cl.
What is the InChIKey of cis-(1R,5R)-1,3,3-trimethyl-5-propan-2-ylcyclohexan-1-amine;hydrochloride?
The InChIKey is GFONQSPWZVKHIM-MHDYBILJSA-N. The full InChI is InChI=1S/C12H25N.ClH/c1-9(2)10-6-11(3,4)8-12(5,13)7-10;/h9-10H,6-8,13H2,1-5H3;1H/t10-,12-;/m1./s1.
What are the key properties of cis-(1R,5R)-1,3,3-trimethyl-5-propan-2-ylcyclohexan-1-amine;hydrochloride?
cis-(1R,5R)-1,3,3-trimethyl-5-propan-2-ylcyclohexan-1-amine;hydrochloride has a molecular weight of 219.80 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,5R)-1,3,3-trimethyl-5-propan-2-ylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 66838571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).