(1-bromo-2-ethylpentyl)carbamic acid

C8H16BrNO2 — CID 88764800

IUPAC(1-bromo-2-ethylpentyl)carbamic acid
SMILESCCCC(CC)C(Br)NC(=O)O
InChIInChI=1S/C8H16BrNO2/c1-3-5-6(4-2)7(9)10-8(11)12/h6-7,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyAGSVZZZOSOCWSN-UHFFFAOYSA-N
MW238.12 g/mol
LogP2.80
Rot. Bonds5

About (1-bromo-2-ethylpentyl)carbamic acid

(1-bromo-2-ethylpentyl)carbamic acid (PubChem CID 88764800) has the molecular formula C8H16BrNO2 and a molecular weight of 238.12 g/mol. Its IUPAC name is (1-bromo-2-ethylpentyl)carbamic acid.

Molecular Properties

Compound Name(1-bromo-2-ethylpentyl)carbamic acid
PubChem CID88764800
Molecular FormulaC8H16BrNO2
Molecular Weight238.12 g/mol
Exact Mass237.04
IUPAC Name(1-bromo-2-ethylpentyl)carbamic acid
SMILESCCCC(CC)C(Br)NC(=O)O
InChIInChI=1S/C8H16BrNO2/c1-3-5-6(4-2)7(9)10-8(11)12/h6-7,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyAGSVZZZOSOCWSN-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-bromo-2-ethylpentyl)carbamic acid;hydrobromide
CID 88764799
N-(1-bromo-2-ethylhexyl)carbamoyl bromide
CID 54533438
1-bromopropylcarbamic acid;hydrobromide
CID 88751632
1-(carboxyamino)butylcarbamic acid
CID 174487694
(1-bromo-2-methyldecyl)carbamic acid;hydrobromide
CID 88765126
4,5-diethyloctane
CID 519254
1-bromooctylcarbamic acid;hydrobromide
CID 88765955
(1-bromo-3-methylpentyl)carbamic acid
CID 88767036
[(4S)-1-hydroxyheptan-4-yl]carbamic acid
CID 87839547
2-bromo-N-pentan-2-ylpropanamide
CID 81222887
tris(3,4-diethylheptane);methane
CID 160558798
3,4-diethylheptane;ethane
CID 144734225

Frequently Asked Questions

What is the IUPAC name of (1-bromo-2-ethylpentyl)carbamic acid?
The IUPAC name of (1-bromo-2-ethylpentyl)carbamic acid (CID 88764800) is (1-bromo-2-ethylpentyl)carbamic acid.
What is the SMILES notation for (1-bromo-2-ethylpentyl)carbamic acid?
The canonical SMILES for (1-bromo-2-ethylpentyl)carbamic acid is CCCC(CC)C(Br)NC(=O)O.
What is the InChIKey of (1-bromo-2-ethylpentyl)carbamic acid?
The InChIKey is AGSVZZZOSOCWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2/c1-3-5-6(4-2)7(9)10-8(11)12/h6-7,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of (1-bromo-2-ethylpentyl)carbamic acid?
(1-bromo-2-ethylpentyl)carbamic acid has a molecular weight of 238.12 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-2-ethylpentyl)carbamic acid is sourced from PubChem (CID 88764800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).