4-(3-methylbutoxy)cyclohexan-1-amine;hydrochloride

C11H24ClNO — CID 134690952

IUPAC4-(3-methylbutoxy)cyclohexan-1-amine;hydrochloride
SMILESCC(C)CCOC1CCC(N)CC1.Cl
InChIInChI=1S/C11H23NO.ClH/c1-9(2)7-8-13-11-5-3-10(12)4-6-11;/h9-11H,3-8,12H2,1-2H3;1H
InChIKeyNATQOTBKFOFTOI-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.74
Rot. Bonds4

About 4-(3-methylbutoxy)cyclohexan-1-amine;hydrochloride

4-(3-methylbutoxy)cyclohexan-1-amine;hydrochloride (PubChem CID 134690952) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is 4-(3-methylbutoxy)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(3-methylbutoxy)cyclohexan-1-amine;hydrochloride
PubChem CID134690952
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC Name4-(3-methylbutoxy)cyclohexan-1-amine;hydrochloride
SMILESCC(C)CCOC1CCC(N)CC1.Cl
InChIInChI=1S/C11H23NO.ClH/c1-9(2)7-8-13-11-5-3-10(12)4-6-11;/h9-11H,3-8,12H2,1-2H3;1H
InChIKeyNATQOTBKFOFTOI-UHFFFAOYSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.77
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-(3-methylbutoxy)cyclohexan-1-amine;hydrochloride (CID 134690952) is 4-(3-methylbutoxy)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-(3-methylbutoxy)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-(3-methylbutoxy)cyclohexan-1-amine;hydrochloride is CC(C)CCOC1CCC(N)CC1.Cl.
What is the InChIKey of 4-(3-methylbutoxy)cyclohexan-1-amine;hydrochloride?
The InChIKey is NATQOTBKFOFTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.ClH/c1-9(2)7-8-13-11-5-3-10(12)4-6-11;/h9-11H,3-8,12H2,1-2H3;1H.
What are the key properties of 4-(3-methylbutoxy)cyclohexan-1-amine;hydrochloride?
4-(3-methylbutoxy)cyclohexan-1-amine;hydrochloride has a molecular weight of 221.77 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 134690952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).