N-(3-bromopropyl)-N-propan-2-yltricyclo[3.2.1.02,4]octane-3-carboxamide

C15H24BrNO — CID 114097196

IUPACN-(3-bromopropyl)-N-propan-2-yltricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCC(C)N(CCCBr)C(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C15H24BrNO/c1-9(2)17(7-3-6-16)15(18)14-12-10-4-5-11(8-10)13(12)14/h9-14H,3-8H2,1-2H3
InChIKeyJFXDCNFWYPJZTN-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.30
Rot. Bonds5

About N-(3-bromopropyl)-N-propan-2-yltricyclo[3.2.1.02,4]octane-3-carboxamide

N-(3-bromopropyl)-N-propan-2-yltricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 114097196) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-propan-2-yltricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-propan-2-yltricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID114097196
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC NameN-(3-bromopropyl)-N-propan-2-yltricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCC(C)N(CCCBr)C(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C15H24BrNO/c1-9(2)17(7-3-6-16)15(18)14-12-10-4-5-11(8-10)13(12)14/h9-14H,3-8H2,1-2H3
InChIKeyJFXDCNFWYPJZTN-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-propan-2-yltricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(3-bromopropyl)-N-propan-2-yltricyclo[3.2.1.02,4]octane-3-carboxamide (CID 114097196) is N-(3-bromopropyl)-N-propan-2-yltricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-N-propan-2-yltricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-N-propan-2-yltricyclo[3.2.1.02,4]octane-3-carboxamide is CC(C)N(CCCBr)C(=O)C1C2C3CCC(C3)C12.
What is the InChIKey of N-(3-bromopropyl)-N-propan-2-yltricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is JFXDCNFWYPJZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-9(2)17(7-3-6-16)15(18)14-12-10-4-5-11(8-10)13(12)14/h9-14H,3-8H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-N-propan-2-yltricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(3-bromopropyl)-N-propan-2-yltricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 314.27 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-propan-2-yltricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 114097196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).