N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine

C19H28BrN — CID 63454286

IUPACN-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC2CC(c3ccc(Br)cc3)C2)CC1
InChIInChI=1S/C19H28BrN/c1-2-3-14-4-10-18(11-5-14)21-19-12-16(13-19)15-6-8-17(20)9-7-15/h6-9,14,16,18-19,21H,2-5,10-13H2,1H3
InChIKeyDWXUDYUPTRHEGN-UHFFFAOYSA-N
MW350.34 g/mol
LogP5.64
Rot. Bonds5

About N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine

N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine (PubChem CID 63454286) has the molecular formula C19H28BrN and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine
PubChem CID63454286
Molecular FormulaC19H28BrN
Molecular Weight350.34 g/mol
Exact Mass349.14
IUPAC NameN-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC2CC(c3ccc(Br)cc3)C2)CC1
InChIInChI=1S/C19H28BrN/c1-2-3-14-4-10-18(11-5-14)21-19-12-16(13-19)15-6-8-17(20)9-7-15/h6-9,14,16,18-19,21H,2-5,10-13H2,1H3
InChIKeyDWXUDYUPTRHEGN-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.34
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(2-fluorophenyl)cyclobutyl]-4-propylcyclohexan-1-amine
CID 63454111
1-bromo-4-(3-propylcyclohexyl)benzene
CID 141294592
1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15135338
N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine
CID 61211031
N-[3-(4-bromophenyl)cyclobutyl]-1-ethylpiperidin-3-amine
CID 61171937
3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine
CID 82709978
3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine
CID 103460849
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632689
4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine
CID 62318692
5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one
CID 64654323

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine (CID 63454286) is N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NC2CC(c3ccc(Br)cc3)C2)CC1.
What is the InChIKey of N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine?
The InChIKey is DWXUDYUPTRHEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrN/c1-2-3-14-4-10-18(11-5-14)21-19-12-16(13-19)15-6-8-17(20)9-7-15/h6-9,14,16,18-19,21H,2-5,10-13H2,1H3.
What are the key properties of N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine?
N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine has a molecular weight of 350.34 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63454286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).