4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride

C17H29Cl2NO — CID 69304082

IUPAC4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride
SMILESCC(CCN(C)C)CC1(c2ccc(Cl)cc2)CCC1.Cl.O
InChIInChI=1S/C17H26ClN.ClH.H2O/c1-14(9-12-19(2)3)13-17(10-4-11-17)15-5-7-16(18)8-6-15;;/h5-8,14H,4,9-13H2,1-3H3;1H;1H2
InChIKeyIOXRXQUNKFTKAS-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.34
Rot. Bonds6

About 4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride

4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride (PubChem CID 69304082) has the molecular formula C17H29Cl2NO and a molecular weight of 334.33 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride
PubChem CID69304082
Molecular FormulaC17H29Cl2NO
Molecular Weight334.33 g/mol
Exact Mass333.16
IUPAC Name4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride
SMILESCC(CCN(C)C)CC1(c2ccc(Cl)cc2)CCC1.Cl.O
InChIInChI=1S/C17H26ClN.ClH.H2O/c1-14(9-12-19(2)3)13-17(10-4-11-17)15-5-7-16(18)8-6-15;;/h5-8,14H,4,9-13H2,1-3H3;1H;1H2
InChIKeyIOXRXQUNKFTKAS-UHFFFAOYSA-N
XLogP4.34
TPSA34.74 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine
CID 174659532
3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride
CID 69399241
3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine
CID 57115633
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine
CID 13083334
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 169436266
2-[[4-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl propanoate
CID 66824604
3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine
CID 79451063
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
3-[1-(4-chlorophenyl)cyclopropyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 135362119
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N-methylcyclopentanamine;hydrochloride
CID 23292613
1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 21365272
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 62596044

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride?
The IUPAC name of 4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride (CID 69304082) is 4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride.
What is the SMILES notation for 4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride?
The canonical SMILES for 4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride is CC(CCN(C)C)CC1(c2ccc(Cl)cc2)CCC1.Cl.O.
What is the InChIKey of 4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride?
The InChIKey is IOXRXQUNKFTKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN.ClH.H2O/c1-14(9-12-19(2)3)13-17(10-4-11-17)15-5-7-16(18)8-6-15;;/h5-8,14H,4,9-13H2,1-3H3;1H;1H2.
What are the key properties of 4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride?
4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride has a molecular weight of 334.33 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride is sourced from PubChem (CID 69304082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).