bromomethane;deuterium monohydride;N-methylbutan-1-amine

C6H18BrN — CID 158856425

IUPACbromomethane;deuterium monohydride;N-methylbutan-1-amine
SMILESCBr.CCCCNC.[H][2H]
InChIInChI=1S/C5H13N.CH3Br.H2/c1-3-4-5-6-2;1-2;/h6H,3-5H2,1-2H3;1H3;1H/i;;1+1
InChIKeyJACMWICEXQAULY-FCHARDOESA-N
MW185.13 g/mol
LogP2.26
Rot. Bonds3

About bromomethane;deuterium monohydride;N-methylbutan-1-amine

bromomethane;deuterium monohydride;N-methylbutan-1-amine (PubChem CID 158856425) has the molecular formula C6H18BrN and a molecular weight of 185.13 g/mol. Its IUPAC name is bromomethane;deuterium monohydride;N-methylbutan-1-amine.

Molecular Properties

Compound Namebromomethane;deuterium monohydride;N-methylbutan-1-amine
PubChem CID158856425
Molecular FormulaC6H18BrN
Molecular Weight185.13 g/mol
Exact Mass184.07
IUPAC Namebromomethane;deuterium monohydride;N-methylbutan-1-amine
SMILESCBr.CCCCNC.[H][2H]
InChIInChI=1S/C5H13N.CH3Br.H2/c1-3-4-5-6-2;1-2;/h6H,3-5H2,1-2H3;1H3;1H/i;;1+1
InChIKeyJACMWICEXQAULY-FCHARDOESA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 52.26
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-methylbutan-1-amine
CID 8068
ethane;N-methylbutan-1-amine;propane
CID 142092371
ethane;N-methylbutan-1-amine;N-methylethanamine
CID 162138927
N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
N-methyltriacontan-1-amine
CID 19840895
N-methylbutan-1-amine;methylsulfanylethane
CID 153330629
N-methylheptan-1-amine;molecular hydrogen;propane
CID 144955567
N-methylbutan-1-amine;trimethoxysilane
CID 173013927
4-(methylamino)butanal;N-methylbutan-1-amine
CID 143130066
hydroxylamine;N-methyloctan-1-amine
CID 144676839
N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine
CID 165044270
N-methylbutan-1-amine;piperidine
CID 143978162

Frequently Asked Questions

What is the IUPAC name of bromomethane;deuterium monohydride;N-methylbutan-1-amine?
The IUPAC name of bromomethane;deuterium monohydride;N-methylbutan-1-amine (CID 158856425) is bromomethane;deuterium monohydride;N-methylbutan-1-amine.
What is the SMILES notation for bromomethane;deuterium monohydride;N-methylbutan-1-amine?
The canonical SMILES for bromomethane;deuterium monohydride;N-methylbutan-1-amine is CBr.CCCCNC.[H][2H].
What is the InChIKey of bromomethane;deuterium monohydride;N-methylbutan-1-amine?
The InChIKey is JACMWICEXQAULY-FCHARDOESA-N. The full InChI is InChI=1S/C5H13N.CH3Br.H2/c1-3-4-5-6-2;1-2;/h6H,3-5H2,1-2H3;1H3;1H/i;;1+1.
What are the key properties of bromomethane;deuterium monohydride;N-methylbutan-1-amine?
bromomethane;deuterium monohydride;N-methylbutan-1-amine has a molecular weight of 185.13 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;deuterium monohydride;N-methylbutan-1-amine is sourced from PubChem (CID 158856425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).