(1-bromo-2-methyldecyl)carbamic acid;hydrobromide

C12H25Br2NO2 — CID 88765126

IUPAC(1-bromo-2-methyldecyl)carbamic acid;hydrobromide
SMILESBr.CCCCCCCCC(C)C(Br)NC(=O)O
InChIInChI=1S/C12H24BrNO2.BrH/c1-3-4-5-6-7-8-9-10(2)11(13)14-12(15)16;/h10-11,14H,3-9H2,1-2H3,(H,15,16);1H
InChIKeyCIJMHVSAUMRGRO-UHFFFAOYSA-N
MW375.15 g/mol
LogP4.94
Rot. Bonds9

About (1-bromo-2-methyldecyl)carbamic acid;hydrobromide

(1-bromo-2-methyldecyl)carbamic acid;hydrobromide (PubChem CID 88765126) has the molecular formula C12H25Br2NO2 and a molecular weight of 375.15 g/mol. Its IUPAC name is (1-bromo-2-methyldecyl)carbamic acid;hydrobromide.

Molecular Properties

Compound Name(1-bromo-2-methyldecyl)carbamic acid;hydrobromide
PubChem CID88765126
Molecular FormulaC12H25Br2NO2
Molecular Weight375.15 g/mol
Exact Mass373.03
IUPAC Name(1-bromo-2-methyldecyl)carbamic acid;hydrobromide
SMILESBr.CCCCCCCCC(C)C(Br)NC(=O)O
InChIInChI=1S/C12H24BrNO2.BrH/c1-3-4-5-6-7-8-9-10(2)11(13)14-12(15)16;/h10-11,14H,3-9H2,1-2H3,(H,15,16);1H
InChIKeyCIJMHVSAUMRGRO-UHFFFAOYSA-N
XLogP4.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.15
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(1-bromo-2-ethylpentyl)carbamic acid;hydrobromide
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CID 57002695
3-ethoxycarbonyl-4-methyloctadecanoic acid
CID 174727043
3-bromo-4-methyldecane
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2,9,10-trimethyloctadecanoic acid
CID 14298664
1-aminohexylcarbamic acid
CID 19696912
(2R)-2-hydroxy-3-methylundecanoic acid
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CID 63470862

Frequently Asked Questions

What is the IUPAC name of (1-bromo-2-methyldecyl)carbamic acid;hydrobromide?
The IUPAC name of (1-bromo-2-methyldecyl)carbamic acid;hydrobromide (CID 88765126) is (1-bromo-2-methyldecyl)carbamic acid;hydrobromide.
What is the SMILES notation for (1-bromo-2-methyldecyl)carbamic acid;hydrobromide?
The canonical SMILES for (1-bromo-2-methyldecyl)carbamic acid;hydrobromide is Br.CCCCCCCCC(C)C(Br)NC(=O)O.
What is the InChIKey of (1-bromo-2-methyldecyl)carbamic acid;hydrobromide?
The InChIKey is CIJMHVSAUMRGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2.BrH/c1-3-4-5-6-7-8-9-10(2)11(13)14-12(15)16;/h10-11,14H,3-9H2,1-2H3,(H,15,16);1H.
What are the key properties of (1-bromo-2-methyldecyl)carbamic acid;hydrobromide?
(1-bromo-2-methyldecyl)carbamic acid;hydrobromide has a molecular weight of 375.15 g/mol, XLogP of 4.94, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-2-methyldecyl)carbamic acid;hydrobromide is sourced from PubChem (CID 88765126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).