2-tert-butyl-1-methylcyclohexan-1-amine;hydrochloride

C11H24ClN — CID 138991411

IUPAC2-tert-butyl-1-methylcyclohexan-1-amine;hydrochloride
SMILESCC(C)(C)C1CCCCC1(C)N.Cl
InChIInChI=1S/C11H23N.ClH/c1-10(2,3)9-7-5-6-8-11(9,4)12;/h9H,5-8,12H2,1-4H3;1H
InChIKeyKSGUNUUKTMPYNK-UHFFFAOYSA-N
MW205.77 g/mol
LogP3.36
Rot. Bonds

About 2-tert-butyl-1-methylcyclohexan-1-amine;hydrochloride

2-tert-butyl-1-methylcyclohexan-1-amine;hydrochloride (PubChem CID 138991411) has the molecular formula C11H24ClN and a molecular weight of 205.77 g/mol. Its IUPAC name is 2-tert-butyl-1-methylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-tert-butyl-1-methylcyclohexan-1-amine;hydrochloride
PubChem CID138991411
Molecular FormulaC11H24ClN
Molecular Weight205.77 g/mol
Exact Mass205.16
IUPAC Name2-tert-butyl-1-methylcyclohexan-1-amine;hydrochloride
SMILESCC(C)(C)C1CCCCC1(C)N.Cl
InChIInChI=1S/C11H23N.ClH/c1-10(2,3)9-7-5-6-8-11(9,4)12;/h9H,5-8,12H2,1-4H3;1H
InChIKeyKSGUNUUKTMPYNK-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.77
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methylcyclohexan-1-amine;hydrochloride?
The IUPAC name of 2-tert-butyl-1-methylcyclohexan-1-amine;hydrochloride (CID 138991411) is 2-tert-butyl-1-methylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 2-tert-butyl-1-methylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for 2-tert-butyl-1-methylcyclohexan-1-amine;hydrochloride is CC(C)(C)C1CCCCC1(C)N.Cl.
What is the InChIKey of 2-tert-butyl-1-methylcyclohexan-1-amine;hydrochloride?
The InChIKey is KSGUNUUKTMPYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.ClH/c1-10(2,3)9-7-5-6-8-11(9,4)12;/h9H,5-8,12H2,1-4H3;1H.
What are the key properties of 2-tert-butyl-1-methylcyclohexan-1-amine;hydrochloride?
2-tert-butyl-1-methylcyclohexan-1-amine;hydrochloride has a molecular weight of 205.77 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 138991411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).