5-bromo-N-(2-cyclopropylethyl)pentan-1-amine

C10H20BrN — CID 107320343

IUPAC5-bromo-N-(2-cyclopropylethyl)pentan-1-amine
SMILESBrCCCCCNCCC1CC1
InChIInChI=1S/C10H20BrN/c11-7-2-1-3-8-12-9-6-10-4-5-10/h10,12H,1-9H2
InChIKeyVKORPCPKXVFAFR-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.94
Rot. Bonds8

About 5-bromo-N-(2-cyclopropylethyl)pentan-1-amine

5-bromo-N-(2-cyclopropylethyl)pentan-1-amine (PubChem CID 107320343) has the molecular formula C10H20BrN and a molecular weight of 234.18 g/mol. Its IUPAC name is 5-bromo-N-(2-cyclopropylethyl)pentan-1-amine.

Molecular Properties

Compound Name5-bromo-N-(2-cyclopropylethyl)pentan-1-amine
PubChem CID107320343
Molecular FormulaC10H20BrN
Molecular Weight234.18 g/mol
Exact Mass233.08
IUPAC Name5-bromo-N-(2-cyclopropylethyl)pentan-1-amine
SMILESBrCCCCCNCCC1CC1
InChIInChI=1S/C10H20BrN/c11-7-2-1-3-8-12-9-6-10-4-5-10/h10,12H,1-9H2
InChIKeyVKORPCPKXVFAFR-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopropylethyl)-3-fluoropropan-1-amine
CID 81106705
5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine
CID 107320411
N'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine
CID 158860052
4-(5-bromopentyl)-N-methylcyclohexan-1-amine
CID 22567858
N-(5-bromopentyl)octan-1-amine
CID 107320236
5-bromo-N-pentylpentan-1-amine
CID 107320303
6-bromo-N-pentylhexan-1-amine
CID 107844161
4-cyclopropyl-N-propylbutan-1-amine
CID 57222613
6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile
CID 106709405
5-(2-cyclopropylethylamino)-N'-hydroxypentanimidamide
CID 77072404
N-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine
CID 83960501
N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide
CID 107848846

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyclopropylethyl)pentan-1-amine?
The IUPAC name of 5-bromo-N-(2-cyclopropylethyl)pentan-1-amine (CID 107320343) is 5-bromo-N-(2-cyclopropylethyl)pentan-1-amine.
What is the SMILES notation for 5-bromo-N-(2-cyclopropylethyl)pentan-1-amine?
The canonical SMILES for 5-bromo-N-(2-cyclopropylethyl)pentan-1-amine is BrCCCCCNCCC1CC1.
What is the InChIKey of 5-bromo-N-(2-cyclopropylethyl)pentan-1-amine?
The InChIKey is VKORPCPKXVFAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrN/c11-7-2-1-3-8-12-9-6-10-4-5-10/h10,12H,1-9H2.
What are the key properties of 5-bromo-N-(2-cyclopropylethyl)pentan-1-amine?
5-bromo-N-(2-cyclopropylethyl)pentan-1-amine has a molecular weight of 234.18 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyclopropylethyl)pentan-1-amine is sourced from PubChem (CID 107320343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).