N-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide

C13H24BrNO — CID 106829061

IUPACN-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide
SMILESCC(Br)CC(C)NC(=O)C1(C)CCCCC1
InChIInChI=1S/C13H24BrNO/c1-10(14)9-11(2)15-12(16)13(3)7-5-4-6-8-13/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyWHPWONVJHQYBGG-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.63
Rot. Bonds4

About N-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide

N-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106829061) has the molecular formula C13H24BrNO and a molecular weight of 290.24 g/mol. Its IUPAC name is N-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide
PubChem CID106829061
Molecular FormulaC13H24BrNO
Molecular Weight290.24 g/mol
Exact Mass289.10
IUPAC NameN-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide
SMILESCC(Br)CC(C)NC(=O)C1(C)CCCCC1
InChIInChI=1S/C13H24BrNO/c1-10(14)9-11(2)15-12(16)13(3)7-5-4-6-8-13/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyWHPWONVJHQYBGG-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106829026
1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide
CID 165121512
N-[(2S)-1-aminopropan-2-yl]-1-methylcyclopentane-1-carboxamide
CID 130609704
N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide
CID 115283457
N-[(2S)-1-aminopropan-2-yl]-1-methylcyclopentane-1-carboxamide;hydrochloride
CID 130609703
N-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide
CID 97027522
2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
CID 21354705
1-methyl-N-pent-4-yn-2-ylcyclobutane-1-carboxamide
CID 131201588
N-(1-bromo-3-methoxypropan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106184425
methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate
CID 106828162
N-(3,4-dioxopentan-2-yl)-1-methylcycloicosane-1-carboxamide
CID 54048894
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106828708

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide (CID 106829061) is N-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide is CC(Br)CC(C)NC(=O)C1(C)CCCCC1.
What is the InChIKey of N-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is WHPWONVJHQYBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-10(14)9-11(2)15-12(16)13(3)7-5-4-6-8-13/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide?
N-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 290.24 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106829061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).