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

C17H25BrN2 — CID 61171937

IUPACN-[3-(4-bromophenyl)cyclobutyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NC2CC(c3ccc(Br)cc3)C2)C1
InChIInChI=1S/C17H25BrN2/c1-2-20-9-3-4-16(12-20)19-17-10-14(11-17)13-5-7-15(18)8-6-13/h5-8,14,16-17,19H,2-4,9-12H2,1H3
InChIKeyJMJSFKYNMBYTHD-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.77
Rot. Bonds4

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

N-[3-(4-bromophenyl)cyclobutyl]-1-ethylpiperidin-3-amine (PubChem CID 61171937) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)cyclobutyl]-1-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)cyclobutyl]-1-ethylpiperidin-3-amine
PubChem CID61171937
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC NameN-[3-(4-bromophenyl)cyclobutyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NC2CC(c3ccc(Br)cc3)C2)C1
InChIInChI=1S/C17H25BrN2/c1-2-20-9-3-4-16(12-20)19-17-10-14(11-17)13-5-7-15(18)8-6-13/h5-8,14,16-17,19H,2-4,9-12H2,1H3
InChIKeyJMJSFKYNMBYTHD-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine
CID 61211031
N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine
CID 63454286
1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine
CID 61210851
5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one
CID 64654323
1-ethyl-N-(3-phenylcyclobutyl)piperidin-4-amine
CID 54917521
N-cyclohexyl-1-ethyl-5-phenylpiperidin-3-amine
CID 83999040
4-bromo-2-N-(1-ethylpiperidin-3-yl)benzene-1,2-diamine
CID 65343642
3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
CID 107167321
N-(1-ethylpiperidin-3-yl)-1-methylazepan-4-amine
CID 65070247
3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine
CID 62994419
N-(1-cyclopropylpyrrolidin-3-yl)-1-ethylpiperidin-3-amine
CID 62982857
1-ethyl-N-(5-methylthiolan-3-yl)piperidin-3-amine
CID 79950427

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)cyclobutyl]-1-ethylpiperidin-3-amine?
The IUPAC name of N-[3-(4-bromophenyl)cyclobutyl]-1-ethylpiperidin-3-amine (CID 61171937) is N-[3-(4-bromophenyl)cyclobutyl]-1-ethylpiperidin-3-amine.
What is the SMILES notation for N-[3-(4-bromophenyl)cyclobutyl]-1-ethylpiperidin-3-amine?
The canonical SMILES for N-[3-(4-bromophenyl)cyclobutyl]-1-ethylpiperidin-3-amine is CCN1CCCC(NC2CC(c3ccc(Br)cc3)C2)C1.
What is the InChIKey of N-[3-(4-bromophenyl)cyclobutyl]-1-ethylpiperidin-3-amine?
The InChIKey is JMJSFKYNMBYTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-2-20-9-3-4-16(12-20)19-17-10-14(11-17)13-5-7-15(18)8-6-13/h5-8,14,16-17,19H,2-4,9-12H2,1H3.
What are the key properties of N-[3-(4-bromophenyl)cyclobutyl]-1-ethylpiperidin-3-amine?
N-[3-(4-bromophenyl)cyclobutyl]-1-ethylpiperidin-3-amine has a molecular weight of 337.31 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)cyclobutyl]-1-ethylpiperidin-3-amine is sourced from PubChem (CID 61171937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).