1-cyclohexyl-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-methylmethanamine;hydrochloride

C18H26Cl3N — CID 13083211

IUPAC1-cyclohexyl-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-methylmethanamine;hydrochloride
SMILESCNC(C1CCCCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1.Cl
InChIInChI=1S/C18H25Cl2N.ClH/c1-21-17(13-6-3-2-4-7-13)18(10-5-11-18)14-8-9-15(19)16(20)12-14;/h8-9,12-13,17,21H,2-7,10-11H2,1H3;1H
InChIKeySNHPLEVRQJFDDJ-UHFFFAOYSA-N
MW362.77 g/mol
LogP6.01
Rot. Bonds4

About 1-cyclohexyl-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-methylmethanamine;hydrochloride

1-cyclohexyl-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-methylmethanamine;hydrochloride (PubChem CID 13083211) has the molecular formula C18H26Cl3N and a molecular weight of 362.77 g/mol. Its IUPAC name is 1-cyclohexyl-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-methylmethanamine;hydrochloride
PubChem CID13083211
Molecular FormulaC18H26Cl3N
Molecular Weight362.77 g/mol
Exact Mass361.11
IUPAC Name1-cyclohexyl-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-methylmethanamine;hydrochloride
SMILESCNC(C1CCCCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1.Cl
InChIInChI=1S/C18H25Cl2N.ClH/c1-21-17(13-6-3-2-4-7-13)18(10-5-11-18)14-8-9-15(19)16(20)12-14;/h8-9,12-13,17,21H,2-7,10-11H2,1H3;1H
InChIKeySNHPLEVRQJFDDJ-UHFFFAOYSA-N
XLogP6.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.77
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-cyclohexyl-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-methylmethanamine;hydrochloride (CID 13083211) is 1-cyclohexyl-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-cyclohexyl-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-methylmethanamine;hydrochloride is CNC(C1CCCCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1.Cl.
What is the InChIKey of 1-cyclohexyl-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-methylmethanamine;hydrochloride?
The InChIKey is SNHPLEVRQJFDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N.ClH/c1-21-17(13-6-3-2-4-7-13)18(10-5-11-18)14-8-9-15(19)16(20)12-14;/h8-9,12-13,17,21H,2-7,10-11H2,1H3;1H.
What are the key properties of 1-cyclohexyl-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-methylmethanamine;hydrochloride?
1-cyclohexyl-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-methylmethanamine;hydrochloride has a molecular weight of 362.77 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 13083211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).