N-[2-(bromomethyl)pentyl]-N-ethylcyclohexanamine

C14H28BrN — CID 65011181

IUPACN-[2-(bromomethyl)pentyl]-N-ethylcyclohexanamine
SMILESCCCC(CBr)CN(CC)C1CCCCC1
InChIInChI=1S/C14H28BrN/c1-3-8-13(11-15)12-16(4-2)14-9-6-5-7-10-14/h13-14H,3-12H2,1-2H3
InChIKeyKOIWBBHUHWDARQ-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.45
Rot. Bonds7

About N-[2-(bromomethyl)pentyl]-N-ethylcyclohexanamine

N-[2-(bromomethyl)pentyl]-N-ethylcyclohexanamine (PubChem CID 65011181) has the molecular formula C14H28BrN and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[2-(bromomethyl)pentyl]-N-ethylcyclohexanamine.

Molecular Properties

Compound NameN-[2-(bromomethyl)pentyl]-N-ethylcyclohexanamine
PubChem CID65011181
Molecular FormulaC14H28BrN
Molecular Weight290.29 g/mol
Exact Mass289.14
IUPAC NameN-[2-(bromomethyl)pentyl]-N-ethylcyclohexanamine
SMILESCCCC(CBr)CN(CC)C1CCCCC1
InChIInChI=1S/C14H28BrN/c1-3-8-13(11-15)12-16(4-2)14-9-6-5-7-10-14/h13-14H,3-12H2,1-2H3
InChIKeyKOIWBBHUHWDARQ-UHFFFAOYSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine
CID 65011178
N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine
CID 79004109
N-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine
CID 65011242
N,N-diethylcycloundecanamine
CID 163828609
1-cyclohexyl-N'-cyclopentyl-N'-ethylethane-1,2-diamine
CID 104744777
N-(oxan-4-ylmethyl)-N-(2-propylpentyl)cyclohexanamine
CID 170209709
N,N-diethylcyclobutanamine;ethane
CID 170746144
N',1-dicyclopentyl-N'-ethylethane-1,2-diamine
CID 104744779
1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine
CID 43649724
1-N-cyclopropyl-1-N-ethylpentane-1,2-diamine
CID 43650458
1-[cyclopentyl(ethyl)amino]butan-2-ol
CID 60886562
N'-cyclohexyl-1-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine
CID 63912104

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)pentyl]-N-ethylcyclohexanamine?
The IUPAC name of N-[2-(bromomethyl)pentyl]-N-ethylcyclohexanamine (CID 65011181) is N-[2-(bromomethyl)pentyl]-N-ethylcyclohexanamine.
What is the SMILES notation for N-[2-(bromomethyl)pentyl]-N-ethylcyclohexanamine?
The canonical SMILES for N-[2-(bromomethyl)pentyl]-N-ethylcyclohexanamine is CCCC(CBr)CN(CC)C1CCCCC1.
What is the InChIKey of N-[2-(bromomethyl)pentyl]-N-ethylcyclohexanamine?
The InChIKey is KOIWBBHUHWDARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrN/c1-3-8-13(11-15)12-16(4-2)14-9-6-5-7-10-14/h13-14H,3-12H2,1-2H3.
What are the key properties of N-[2-(bromomethyl)pentyl]-N-ethylcyclohexanamine?
N-[2-(bromomethyl)pentyl]-N-ethylcyclohexanamine has a molecular weight of 290.29 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)pentyl]-N-ethylcyclohexanamine is sourced from PubChem (CID 65011181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).