5-bromopentyl(ethyl)cyanamide

C8H15BrN2 — CID 100998042

IUPAC5-bromopentyl(ethyl)cyanamide
SMILESCCN(C#N)CCCCCBr
InChIInChI=1S/C8H15BrN2/c1-2-11(8-10)7-5-3-4-6-9/h2-7H2,1H3
InChIKeyZNBGZSVKEVNVRZ-UHFFFAOYSA-N
MW219.13 g/mol
LogP2.35
Rot. Bonds6

About 5-bromopentyl(ethyl)cyanamide

5-bromopentyl(ethyl)cyanamide (PubChem CID 100998042) has the molecular formula C8H15BrN2 and a molecular weight of 219.13 g/mol. Its IUPAC name is 5-bromopentyl(ethyl)cyanamide.

Molecular Properties

Compound Name5-bromopentyl(ethyl)cyanamide
PubChem CID100998042
Molecular FormulaC8H15BrN2
Molecular Weight219.13 g/mol
Exact Mass218.04
IUPAC Name5-bromopentyl(ethyl)cyanamide
SMILESCCN(C#N)CCCCCBr
InChIInChI=1S/C8H15BrN2/c1-2-11(8-10)7-5-3-4-6-9/h2-7H2,1H3
InChIKeyZNBGZSVKEVNVRZ-UHFFFAOYSA-N
XLogP2.35
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.13
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

diethylcyanamide
CID 12050
dipentylcyanamide
CID 3084648
1,5-dibromopentane;N,N-diethylethanamine
CID 174758884
1,4-dibromobutane;bis(N,N-diethylethanamine)
CID 90390168
N-(6-bromohexyl)-N',N'-diethylethane-1,2-diamine
CID 107914108
1-bromohexadecane;N,N-diethylethanamine
CID 87113949
N-(5-bromopentyl)-N-methylhexan-1-amine
CID 107204775
1,5-dibromopentane;molecular nitrogen
CID 164869645
7-(diethylamino)heptanenitrile
CID 3857194
1,40-dibromotetracontane
CID 11614635
1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol
CID 105343823
1-bromononadecane
CID 20496

Frequently Asked Questions

What is the IUPAC name of 5-bromopentyl(ethyl)cyanamide?
The IUPAC name of 5-bromopentyl(ethyl)cyanamide (CID 100998042) is 5-bromopentyl(ethyl)cyanamide.
What is the SMILES notation for 5-bromopentyl(ethyl)cyanamide?
The canonical SMILES for 5-bromopentyl(ethyl)cyanamide is CCN(C#N)CCCCCBr.
What is the InChIKey of 5-bromopentyl(ethyl)cyanamide?
The InChIKey is ZNBGZSVKEVNVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN2/c1-2-11(8-10)7-5-3-4-6-9/h2-7H2,1H3.
What are the key properties of 5-bromopentyl(ethyl)cyanamide?
5-bromopentyl(ethyl)cyanamide has a molecular weight of 219.13 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopentyl(ethyl)cyanamide is sourced from PubChem (CID 100998042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).