5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide

C14H29BrN2O — CID 114014573

IUPAC5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide
SMILESCCN(CC)CCCC(C)NC(=O)CCCCBr
InChIInChI=1S/C14H29BrN2O/c1-4-17(5-2)12-8-9-13(3)16-14(18)10-6-7-11-15/h13H,4-12H2,1-3H3,(H,16,18)
InChIKeyFPIHSZSAWWIASP-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.18
Rot. Bonds11

About 5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide

5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide (PubChem CID 114014573) has the molecular formula C14H29BrN2O and a molecular weight of 321.30 g/mol. Its IUPAC name is 5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide
PubChem CID114014573
Molecular FormulaC14H29BrN2O
Molecular Weight321.30 g/mol
Exact Mass320.15
IUPAC Name5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide
SMILESCCN(CC)CCCC(C)NC(=O)CCCCBr
InChIInChI=1S/C14H29BrN2O/c1-4-17(5-2)12-8-9-13(3)16-14(18)10-6-7-11-15/h13H,4-12H2,1-3H3,(H,16,18)
InChIKeyFPIHSZSAWWIASP-UHFFFAOYSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
6-amino-N-[5-(diethylamino)pentan-2-yl]hexanamide
CID 24702267
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
N-(5-bromopentan-2-yl)butanamide
CID 114316345
N-[5-(diethylamino)pentan-2-yl]prop-2-enamide
CID 43616329
(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide
CID 61147751
N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide
CID 107020634
3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea
CID 116653954
5-bromo-N-(3-methylbutan-2-yl)pentanamide
CID 107907391
(E)-4-[5-(diethylamino)pentan-2-ylamino]-4-oxobut-2-enoic acid
CID 5368003
methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate
CID 112616629
N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide
CID 102116491

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide?
The IUPAC name of 5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide (CID 114014573) is 5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide.
What is the SMILES notation for 5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide?
The canonical SMILES for 5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide is CCN(CC)CCCC(C)NC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide?
The InChIKey is FPIHSZSAWWIASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BrN2O/c1-4-17(5-2)12-8-9-13(3)16-14(18)10-6-7-11-15/h13H,4-12H2,1-3H3,(H,16,18).
What are the key properties of 5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide?
5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide has a molecular weight of 321.30 g/mol, XLogP of 3.18, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide is sourced from PubChem (CID 114014573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).