N-[[1-(4-bromophenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine

C15H20BrN — CID 65353821

IUPACN-[[1-(4-bromophenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccc(Br)cc2)CC=CC1
InChIInChI=1S/C15H20BrN/c1-2-11-17-12-15(9-3-4-10-15)13-5-7-14(16)8-6-13/h3-8,17H,2,9-12H2,1H3
InChIKeyVVDBSZWRAWXHFP-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.04
Rot. Bonds5

About N-[[1-(4-bromophenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine

N-[[1-(4-bromophenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine (PubChem CID 65353821) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is N-[[1-(4-bromophenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-bromophenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine
PubChem CID65353821
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC NameN-[[1-(4-bromophenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccc(Br)cc2)CC=CC1
InChIInChI=1S/C15H20BrN/c1-2-11-17-12-15(9-3-4-10-15)13-5-7-14(16)8-6-13/h3-8,17H,2,9-12H2,1H3
InChIKeyVVDBSZWRAWXHFP-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromophenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(4-bromophenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine (CID 65353821) is N-[[1-(4-bromophenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(4-bromophenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(4-bromophenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine is CCCNCC1(c2ccc(Br)cc2)CC=CC1.
What is the InChIKey of N-[[1-(4-bromophenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine?
The InChIKey is VVDBSZWRAWXHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c1-2-11-17-12-15(9-3-4-10-15)13-5-7-14(16)8-6-13/h3-8,17H,2,9-12H2,1H3.
What are the key properties of N-[[1-(4-bromophenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine?
N-[[1-(4-bromophenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine has a molecular weight of 294.24 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-bromophenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine is sourced from PubChem (CID 65353821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).