N-(4-bromopentyl)-2-methylpropanamide

C9H18BrNO — CID 106130687

IUPACN-(4-bromopentyl)-2-methylpropanamide
SMILESCC(Br)CCCNC(=O)C(C)C
InChIInChI=1S/C9H18BrNO/c1-7(2)9(12)11-6-4-5-8(3)10/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyDPMGTTZZRSJZNV-UHFFFAOYSA-N
MW236.15 g/mol
LogP2.32
Rot. Bonds5

About N-(4-bromopentyl)-2-methylpropanamide

N-(4-bromopentyl)-2-methylpropanamide (PubChem CID 106130687) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is N-(4-bromopentyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-bromopentyl)-2-methylpropanamide
PubChem CID106130687
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC NameN-(4-bromopentyl)-2-methylpropanamide
SMILESCC(Br)CCCNC(=O)C(C)C
InChIInChI=1S/C9H18BrNO/c1-7(2)9(12)11-6-4-5-8(3)10/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyDPMGTTZZRSJZNV-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 52.32
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-(4-bromopentyl)-4-methylpentanamide
CID 106131429
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
N-(4-bromopentyl)heptanamide
CID 106131403
N-(4-iodobutyl)-2-methylpropanamide
CID 106846400
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
N-(3-bromobutyl)-2-methylbutanamide
CID 114312674
dimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride
CID 88863969
N-(4-bromopentyl)-2,6-difluorobenzamide
CID 106130576
N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide
CID 106130377
N-(3-iodobutyl)-2-methylpropanamide
CID 139362992

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentyl)-2-methylpropanamide?
The IUPAC name of N-(4-bromopentyl)-2-methylpropanamide (CID 106130687) is N-(4-bromopentyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-bromopentyl)-2-methylpropanamide?
The canonical SMILES for N-(4-bromopentyl)-2-methylpropanamide is CC(Br)CCCNC(=O)C(C)C.
What is the InChIKey of N-(4-bromopentyl)-2-methylpropanamide?
The InChIKey is DPMGTTZZRSJZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-7(2)9(12)11-6-4-5-8(3)10/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of N-(4-bromopentyl)-2-methylpropanamide?
N-(4-bromopentyl)-2-methylpropanamide has a molecular weight of 236.15 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentyl)-2-methylpropanamide is sourced from PubChem (CID 106130687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).